 vasp.5.4.1 24Jun15 (build Dec 14 2019 20:21:40) complex                        
  
 executed on           IFC91_ompi date 2020.01.05  15:53:38
 running on   40 total cores
 distrk:  each k-point on   40 cores,    1 groups
 distr:  one band on NCORES_PER_BAND=  10 cores,    4 groups


--------------------------------------------------------------------------------------------------------
 TITEL  = PAW_PBE Li 04Oct2007

 INCAR:
 POTCAR:    PAW_PBE Li 17Jan2003                  
 POTCAR:    PAW_PBE Li 17Jan2003                  
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           3
   number of lm-projection operators is LMMAX =           5
 

 ----------------------------------------------------------------------------- 
|                                                                             |
|  ADVICE TO THIS USER RUNNING 'VASP/VAMP'   (HEAR YOUR MASTER'S VOICE ...):  |
|                                                                             |
|      You have a (more or less) 'large supercell' and for larger cells       |
|      it might be more efficient to use real space projection opertators     |
|      So try LREAL= Auto  in the INCAR   file.                               |
|      Mind: At the moment your POTCAR file does not contain real space       |
|       projectors, and has to be modified,  BUT if you                       |
|      want to do an extremely  accurate calculation you might also keep the  |
|      reciprocal projection scheme          (i.e. LREAL=.FALSE.)             |
|                                                                             |
 ----------------------------------------------------------------------------- 

  PAW_PBE Li 17Jan2003                  :
 energy of atom  1       EATOM=   -5.3001
 kinetic energy error for atom=    0.0000 (will be added to EATOM!!)
 
 
 POSCAR: Li40                                    
  positions in direct lattice
  No initial velocities read in
 exchange correlation table for  LEXCH =        8
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000
 


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


 ion  position               nearest neighbor table
   1  0.093  0.116  0.000-  10 1.61  40 1.93  15 2.06  32 2.07  27 2.08  39 2.16  17 2.21  22 2.24
                             2 2.26  25 2.31  37 2.80  18 2.80   9 2.81  33 2.84  13 2.94  28 2.97
   2  0.907  0.884  0.000-   9 1.61  39 1.93  16 2.06  31 2.07  28 2.08  40 2.16  18 2.21  21 2.24
                             1 2.26  26 2.31  38 2.80  17 2.80  10 2.81  34 2.84  14 2.94  27 2.97
   3  0.593  0.384  0.000-  12 1.61  38 1.93  13 2.06  30 2.07  25 2.08  37 2.16  19 2.21  24 2.24
                             4 2.26  27 2.31  39 2.80  20 2.80  11 2.81  35 2.84  15 2.94  26 2.97
   4  0.407  0.616  0.000-  11 1.61  37 1.93  14 2.06  29 2.07  26 2.08  38 2.16  20 2.21  23 2.24
                             3 2.26  28 2.31  40 2.80  19 2.80  12 2.81  36 2.84  16 2.94  25 2.97
   5  0.093  0.616  0.500-  14 1.61  36 1.93  11 2.06  28 2.07  31 2.08  35 2.16  21 2.21  18 2.24
                             6 2.26  29 2.31  33 2.80  22 2.80  13 2.81  37 2.84   9 2.94  32 2.97
   6  0.907  0.384  0.500-  13 1.61  35 1.93  12 2.06  27 2.07  32 2.08  36 2.16  22 2.21  17 2.24
                             5 2.26  30 2.31  34 2.80  21 2.80  14 2.81  38 2.84  10 2.94  31 2.97
   7  0.593  0.884  0.500-  16 1.61  34 1.93   9 2.06  26 2.07  29 2.08  33 2.16  23 2.21  20 2.24
                             8 2.26  31 2.31  35 2.80  24 2.80  15 2.81  39 2.84  11 2.94  30 2.97
   8  0.407  0.116  0.500-  15 1.61  33 1.93  10 2.06  25 2.07  30 2.08  34 2.16  24 2.21  19 2.24
                             7 2.26  32 2.31  36 2.80  23 2.80  16 2.81  40 2.84  12 2.94  29 2.97
   9  0.863  0.903  0.314-   2 1.61  18 1.82  34 1.85   7 2.06  26 2.12  31 2.28  28 2.33  17 2.33
                            10 2.43  35 2.61  21 2.65  39 2.70  27 2.74   1 2.81  23 2.90  33 2.92
  10  0.137  0.097  0.314-   1 1.61  17 1.82  33 1.85   8 2.06  25 2.12  32 2.28  27 2.33  18 2.33
                             9 2.43  36 2.61  22 2.65  40 2.70  28 2.74   2 2.81  24 2.90  34 2.92
  11  0.363  0.597  0.314-   4 1.61  20 1.82  36 1.85   5 2.06  28 2.12  29 2.28  26 2.33  19 2.33
                            12 2.43  33 2.61  23 2.65  37 2.70  25 2.74   3 2.81  21 2.90  35 2.92
  12  0.637  0.403  0.314-   3 1.61  19 1.82  35 1.85   6 2.06  27 2.12  30 2.28  25 2.33  20 2.33
                            11 2.43  34 2.61  24 2.65  38 2.70  26 2.74   4 2.81  22 2.90  36 2.92
  13  0.863  0.403  0.814-   6 1.61  22 1.82  38 1.85   3 2.06  30 2.12  27 2.28  32 2.33  21 2.33
                            14 2.43  39 2.61  17 2.65  35 2.70  31 2.74   5 2.81  19 2.90  37 2.92
  14  0.137  0.597  0.814-   5 1.61  21 1.82  37 1.85   4 2.06  29 2.12  28 2.28  31 2.33  22 2.33
                            13 2.43  40 2.61  18 2.65  36 2.70  32 2.74   6 2.81  20 2.90  38 2.92
  15  0.363  0.097  0.814-   8 1.61  24 1.82  40 1.85   1 2.06  32 2.12  25 2.28  30 2.33  23 2.33
                            16 2.43  37 2.61  19 2.65  33 2.70  29 2.74   7 2.81  17 2.90  39 2.92
  16  0.637  0.903  0.814-   7 1.61  23 1.82  39 1.85   2 2.06  31 2.12  26 2.28  29 2.33  24 2.33
                            15 2.43  38 2.61  20 2.65  34 2.70  30 2.74   8 2.81  18 2.90  40 2.92
  17  0.968  0.117  0.594-  32 1.78  10 1.82  39 1.88  18 1.94  34 2.07   1 2.21   6 2.24   9 2.33
                            30 2.39  27 2.43  13 2.65  40 2.73   2 2.80  15 2.90  33 2.95   8 3.02
  18  0.032  0.883  0.594-  31 1.78   9 1.82  40 1.88  17 1.94  33 2.07   2 2.21   5 2.24  10 2.33
                            29 2.39  28 2.43  14 2.65  39 2.73   1 2.80  16 2.90  34 2.95   7 3.02
  19  0.468  0.383  0.594-  30 1.78  12 1.82  37 1.88  20 1.94  36 2.07   3 2.21   8 2.24  11 2.33
                            32 2.39  25 2.43  15 2.65  38 2.73   4 2.80  13 2.90  35 2.95   6 3.02
  20  0.532  0.617  0.594-  29 1.78  11 1.82  38 1.88  19 1.94  35 2.07   4 2.21   7 2.24  12 2.33
                            31 2.39  26 2.43  16 2.65  37 2.73   3 2.80  14 2.90  36 2.95   5 3.02
  21  0.968  0.617  0.094-  28 1.78  14 1.82  35 1.88  22 1.94  38 2.07   5 2.21   2 2.24  13 2.33
                            26 2.39  31 2.43   9 2.65  36 2.73   6 2.80  11 2.90  37 2.95   4 3.02
  22  0.032  0.383  0.094-  27 1.78  13 1.82  36 1.88  21 1.94  37 2.07   6 2.21   1 2.24  14 2.33
                            25 2.39  32 2.43  10 2.65  35 2.73   5 2.80  12 2.90  38 2.95   3 3.02
  23  0.468  0.883  0.094-  26 1.78  16 1.82  33 1.88  24 1.94  40 2.07   7 2.21   4 2.24  15 2.33
                            28 2.39  29 2.43  11 2.65  34 2.73   8 2.80   9 2.90  39 2.95   2 3.02
  24  0.532  0.117  0.094-  25 1.78  15 1.82  34 1.88  23 1.94  39 2.07   8 2.21   3 2.24  16 2.33
                            27 2.39  30 2.43  12 2.65  33 2.73   7 2.80  10 2.90  40 2.95   1 3.02
  25  0.351  0.268  0.176-  24 1.78  36 1.81  37 1.94   8 2.07   3 2.08  10 2.12  15 2.28   1 2.31
                            12 2.33  22 2.39  19 2.43  11 2.74  32 2.86  32 2.86   4 2.97  34 3.01
  26  0.649  0.732  0.176-  23 1.78  35 1.81  38 1.94   7 2.07   4 2.08   9 2.12  16 2.28   2 2.31
                            11 2.33  21 2.39  20 2.43  12 2.74  31 2.86  31 2.86   3 2.97  33 3.01
  27  0.851  0.232  0.176-  22 1.78  34 1.81  39 1.94   6 2.07   1 2.08  12 2.12  13 2.28   3 2.31
                            10 2.33  24 2.39  17 2.43   9 2.74  30 2.86  30 2.86   2 2.97  36 3.01
  28  0.149  0.768  0.176-  21 1.78  33 1.81  40 1.94   5 2.07   2 2.08  11 2.12  14 2.28   4 2.31
                             9 2.33  23 2.39  18 2.43  10 2.74  29 2.86  29 2.86   1 2.97  35 3.01
  29  0.351  0.768  0.676-  20 1.78  40 1.81  33 1.94   4 2.07   7 2.08  14 2.12  11 2.28   5 2.31
                            16 2.33  18 2.39  23 2.43  15 2.74  28 2.86  28 2.86   8 2.97  38 3.01
  30  0.649  0.232  0.676-  19 1.78  39 1.81  34 1.94   3 2.07   8 2.08  13 2.12  12 2.28   6 2.31
                            15 2.33  17 2.39  24 2.43  16 2.74  27 2.86  27 2.86   7 2.97  37 3.01
  31  0.851  0.732  0.676-  18 1.78  38 1.81  35 1.94   2 2.07   5 2.08  16 2.12   9 2.28   7 2.31
                            14 2.33  20 2.39  21 2.43  13 2.74  26 2.86  26 2.86   6 2.97  40 3.01
  32  0.149  0.268  0.676-  17 1.78  37 1.81  36 1.94   1 2.07   6 2.08  15 2.12  10 2.28   8 2.31
                            13 2.33  19 2.39  22 2.43  14 2.74  25 2.86  25 2.86   5 2.97  39 3.01
  33  0.290  0.912  0.377-  28 1.81  10 1.85  23 1.88   8 1.93  29 1.94  18 2.07   7 2.16  40 2.57
                            40 2.57  11 2.61  15 2.70  24 2.73   5 2.80   1 2.84   9 2.92  17 2.95
  34  0.710  0.088  0.377-  27 1.81   9 1.85  24 1.88   7 1.93  30 1.94  17 2.07   8 2.16  39 2.57
                            39 2.57  12 2.61  16 2.70  23 2.73   6 2.80   2 2.84  10 2.92  18 2.95
  35  0.790  0.588  0.377-  26 1.81  12 1.85  21 1.88   6 1.93  31 1.94  20 2.07   5 2.16  38 2.57
                            38 2.57   9 2.61  13 2.70  22 2.73   7 2.80   3 2.84  11 2.92  19 2.95
  36  0.210  0.412  0.377-  25 1.81  11 1.85  22 1.88   5 1.93  32 1.94  19 2.07   6 2.16  37 2.57
                            37 2.57  10 2.61  14 2.70  21 2.73   8 2.80   4 2.84  12 2.92  20 2.95
  37  0.290  0.412  0.877-  32 1.81  14 1.85  19 1.88   4 1.93  25 1.94  22 2.07   3 2.16  36 2.57
                            36 2.57  15 2.61  11 2.70  20 2.73   1 2.80   5 2.84  13 2.92  21 2.95
  38  0.710  0.588  0.877-  31 1.81  13 1.85  20 1.88   3 1.93  26 1.94  21 2.07   4 2.16  35 2.57
                            35 2.57  16 2.61  12 2.70  19 2.73   2 2.80   6 2.84  14 2.92  22 2.95
  39  0.790  0.088  0.877-  30 1.81  16 1.85  17 1.88   2 1.93  27 1.94  24 2.07   1 2.16  34 2.57
                            34 2.57  13 2.61   9 2.70  18 2.73   3 2.80   7 2.84  15 2.92  23 2.95
  40  0.210  0.912  0.877-  29 1.81  15 1.85  18 1.88   1 1.93  28 1.94  23 2.07   2 2.16  33 2.57
                            33 2.57  14 2.61  10 2.70  17 2.73   4 2.80   8 2.84  16 2.92  24 2.95
 

 ----------------------------------------------------------------------------- 
|                                                                             |
|           W    W    AA    RRRRR   N    N  II  N    N   GGGG   !!!           |
|           W    W   A  A   R    R  NN   N  II  NN   N  G    G  !!!           |
|           W    W  A    A  R    R  N N  N  II  N N  N  G       !!!           |
|           W WW W  AAAAAA  RRRRR   N  N N  II  N  N N  G  GGG   !            |
|           WW  WW  A    A  R   R   N   NN  II  N   NN  G    G                |
|           W    W  A    A  R    R  N    N  II  N    N   GGGG   !!!           |
|                                                                             |
|      The distance between some ions is very small                           |
|      please check the nearest neigbor list in the OUTCAR file               |
|          I HOPE YOU KNOW, WHAT YOU ARE  DOING                               |
|                                                                             |
 ----------------------------------------------------------------------------- 

  LATTYP: Found a simple orthorhombic cell.
 ALAT       =     5.0141000748
 B/A-ratio  =     1.3539019698
 C/A-ratio  =     1.6079056007
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   0.0000000000,   5.0141000748)
 A2 = (  -6.7885999680,   0.0000000000,   0.0000000000)
 A3 = (   0.0000000000,  -8.0621995926,   0.0000000000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns following result:
 
  LATTYP: Found a base centered orthorhombic cell.
 ALAT       =     5.0141000748
 B/A-ratio  =     1.6079056746
 C/A-ratio  =     1.3539019698
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   4.0310999817,  -2.5070504586)
 A2 = (   0.0000000000,  -4.0310999817,  -2.5070496162)
 A3 = (  -6.7885999680,   0.0000000000,   0.0000000000)
 
   2 primitive cells build up your supercell.
 

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


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  2 operations were pure point group operations)
 out of a pool of  8 trial point group operations.


The static configuration has the point symmetry C_2 .
 The point group associated with its full space group is C_2v.


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns following result:
 
  LATTYP: Found a base centered orthorhombic cell.
 ALAT       =     5.0141000748
 B/A-ratio  =     1.6079056746
 C/A-ratio  =     1.3539019698
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   4.0310999817,  -2.5070504586)
 A2 = (   0.0000000000,  -4.0310999817,  -2.5070496162)
 A3 = (  -6.7885999680,   0.0000000000,   0.0000000000)
 
   2 primitive cells build up your supercell.
 

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


 Subroutine GETGRP returns: Found  4 space group operations
 (whereof  2 operations were pure point group operations)
 out of a pool of  8 trial point group operations.


The dynamic configuration has the point symmetry C_2 .
 The point group associated with its full space group is C_2v.


 Subroutine INISYM returns: Found  4 space group operations
 (whereof  2 operations are pure point group operations),
 and found     2 'primitive' translations

 
 
 KPOINTS: K-Mesh Generated with KP-Resolved Value 

Automatic generation of k-mesh.
Space group operators:
 irot       det(A)        alpha          n_x          n_y          n_z        tau_x        tau_y        tau_z
    1     1.000000     0.000000     1.000000     0.000000     0.000000    -0.000000     0.000000    -0.000000
    2     1.000000   180.000000     0.000000     0.000000     1.000000    -0.000000     0.000000    -0.000000
    3    -1.000000   180.000000     0.000000     1.000000     0.000000    -0.500000     0.000000    -0.500000
    4    -1.000000   180.000000     1.000000     0.000000     0.000000    -0.500000     0.000000    -0.500000
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found     60 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.083333  0.050000      4.000000
  0.142857  0.083333  0.050000      8.000000
  0.285714  0.083333  0.050000      8.000000
  0.428571  0.083333  0.050000      8.000000
  0.000000  0.250000  0.050000      4.000000
  0.142857  0.250000  0.050000      8.000000
  0.285714  0.250000  0.050000      8.000000
  0.428571  0.250000  0.050000      8.000000
  0.000000  0.416667  0.050000      4.000000
  0.142857  0.416667  0.050000      8.000000
  0.285714  0.416667  0.050000      8.000000
  0.428571  0.416667  0.050000      8.000000
  0.000000  0.083333  0.150000      4.000000
  0.142857  0.083333  0.150000      8.000000
  0.285714  0.083333  0.150000      8.000000
  0.428571  0.083333  0.150000      8.000000
  0.000000  0.250000  0.150000      4.000000
  0.142857  0.250000  0.150000      8.000000
  0.285714  0.250000  0.150000      8.000000
  0.428571  0.250000  0.150000      8.000000
  0.000000  0.416667  0.150000      4.000000
  0.142857  0.416667  0.150000      8.000000
  0.285714  0.416667  0.150000      8.000000
  0.428571  0.416667  0.150000      8.000000
  0.000000  0.083333  0.250000      4.000000
  0.142857  0.083333  0.250000      8.000000
  0.285714  0.083333  0.250000      8.000000
  0.428571  0.083333  0.250000      8.000000
  0.000000  0.250000  0.250000      4.000000
  0.142857  0.250000  0.250000      8.000000
  0.285714  0.250000  0.250000      8.000000
  0.428571  0.250000  0.250000      8.000000
  0.000000  0.416667  0.250000      4.000000
  0.142857  0.416667  0.250000      8.000000
  0.285714  0.416667  0.250000      8.000000
  0.428571  0.416667  0.250000      8.000000
  0.000000  0.083333  0.350000      4.000000
  0.142857  0.083333  0.350000      8.000000
  0.285714  0.083333  0.350000      8.000000
  0.428571  0.083333  0.350000      8.000000
  0.000000  0.250000  0.350000      4.000000
  0.142857  0.250000  0.350000      8.000000
  0.285714  0.250000  0.350000      8.000000
  0.428571  0.250000  0.350000      8.000000
  0.000000  0.416667  0.350000      4.000000
  0.142857  0.416667  0.350000      8.000000
  0.285714  0.416667  0.350000      8.000000
  0.428571  0.416667  0.350000      8.000000
  0.000000  0.083333  0.450000      4.000000
  0.142857  0.083333  0.450000      8.000000
  0.285714  0.083333  0.450000      8.000000
  0.428571  0.083333  0.450000      8.000000
  0.000000  0.250000  0.450000      4.000000
  0.142857  0.250000  0.450000      8.000000
  0.285714  0.250000  0.450000      8.000000
  0.428571  0.250000  0.450000      8.000000
  0.000000  0.416667  0.450000      4.000000
  0.142857  0.416667  0.450000      8.000000
  0.285714  0.416667  0.450000      8.000000
  0.428571  0.416667  0.450000      8.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.010336  0.009972      4.000000
  0.021044  0.010336  0.009972      8.000000
  0.042087  0.010336  0.009972      8.000000
  0.063131  0.010336  0.009972      8.000000
  0.000000  0.031009  0.009972      4.000000
  0.021044  0.031009  0.009972      8.000000
  0.042087  0.031009  0.009972      8.000000
  0.063131  0.031009  0.009972      8.000000
  0.000000  0.051682  0.009972      4.000000
  0.021044  0.051682  0.009972      8.000000
  0.042087  0.051682  0.009972      8.000000
  0.063131  0.051682  0.009972      8.000000
  0.000000  0.010336  0.029916      4.000000
  0.021044  0.010336  0.029916      8.000000
  0.042087  0.010336  0.029916      8.000000
  0.063131  0.010336  0.029916      8.000000
  0.000000  0.031009  0.029916      4.000000
  0.021044  0.031009  0.029916      8.000000
  0.042087  0.031009  0.029916      8.000000
  0.063131  0.031009  0.029916      8.000000
  0.000000  0.051682  0.029916      4.000000
  0.021044  0.051682  0.029916      8.000000
  0.042087  0.051682  0.029916      8.000000
  0.063131  0.051682  0.029916      8.000000
  0.000000  0.010336  0.049859      4.000000
  0.021044  0.010336  0.049859      8.000000
  0.042087  0.010336  0.049859      8.000000
  0.063131  0.010336  0.049859      8.000000
  0.000000  0.031009  0.049859      4.000000
  0.021044  0.031009  0.049859      8.000000
  0.042087  0.031009  0.049859      8.000000
  0.063131  0.031009  0.049859      8.000000
  0.000000  0.051682  0.049859      4.000000
  0.021044  0.051682  0.049859      8.000000
  0.042087  0.051682  0.049859      8.000000
  0.063131  0.051682  0.049859      8.000000
  0.000000  0.010336  0.069803      4.000000
  0.021044  0.010336  0.069803      8.000000
  0.042087  0.010336  0.069803      8.000000
  0.063131  0.010336  0.069803      8.000000
  0.000000  0.031009  0.069803      4.000000
  0.021044  0.031009  0.069803      8.000000
  0.042087  0.031009  0.069803      8.000000
  0.063131  0.031009  0.069803      8.000000
  0.000000  0.051682  0.069803      4.000000
  0.021044  0.051682  0.069803      8.000000
  0.042087  0.051682  0.069803      8.000000
  0.063131  0.051682  0.069803      8.000000
  0.000000  0.010336  0.089747      4.000000
  0.021044  0.010336  0.089747      8.000000
  0.042087  0.010336  0.089747      8.000000
  0.063131  0.010336  0.089747      8.000000
  0.000000  0.031009  0.089747      4.000000
  0.021044  0.031009  0.089747      8.000000
  0.042087  0.031009  0.089747      8.000000
  0.063131  0.031009  0.089747      8.000000
  0.000000  0.051682  0.089747      4.000000
  0.021044  0.051682  0.089747      8.000000
  0.042087  0.051682  0.089747      8.000000
  0.063131  0.051682  0.089747      8.000000
 


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




 Dimension of arrays:
   k-points           NKPTS =     60   k-points in BZ     NKDIM =     60   number of bands    NBANDS=     44
   number of dos      NEDOS =    301   number of ions     NIONS =     40
   non local maximal  LDIM  =      3   non local SUM 2l+1 LMDIM =      5
   total plane-waves  NPLWV =  67200
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=   8034
   dimension x,y,z NGX =    42 NGY =   50 NGZ =   32
   dimension x,y,z NGXF=    84 NGYF=  100 NGZF=   64
   support grid    NGXF=    84 NGYF=  100 NGZF=   64
   ions per type =              40
 NGX,Y,Z   is equivalent  to a cutoff of  10.29, 10.31, 10.61 a.u.
 NGXF,Y,Z  is equivalent  to a cutoff of  20.57, 20.62, 21.22 a.u.


 I would recommend the setting:
   dimension x,y,z NGX =    42 NGY =   50 NGZ =   31
 SYSTEM =  unknown system                          
 POSCAR =  Li40                                    

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

 Electronic Relaxation 1
   ENCUT  =  650.0 eV  47.77 Ry    6.91 a.u.  14.11 16.76 10.42*2*pi/ulx,y,z
   ENINI  =  650.0     initial cutoff
   ENAUG  =  331.6 eV  augmentation charge cutoff
   NELM   =    200;   NELMIN=  6; NELMDL= -5     # of ELM steps 
   EDIFF  = 0.1E-05   stopping-criterion for ELM
   LREAL  =      F    real-space projection
   NLSPLINE    = F    spline interpolate recip. space projectors
   LCOMPAT=      F    compatible to vasp.4.4
   GGA_COMPAT  = T    GGA compatible to vasp.4.4-vasp.4.6
   LMAXPAW     = -100 max onsite density
   LMAXMIX     =    2 max onsite mixed and CHGCAR
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   ROPT   =    0.00000
 Ionic relaxation
   EDIFFG = -.1E-01   stopping-criterion for IOM
   NSW    =    200    number of steps for IOM
   NBLOCK =      1;   KBLOCK =    200    inner block; outer block 
   IBRION =      2    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      1    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      3    stress and relaxation
   IWAVPR =     11    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      2    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.6000    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps =****** mass=  -0.105E-26a.u.
   SCALEE = 1.0000    scale energy and forces
   NPACO  =    256;   APACO  = 16.0  distance and # of slots for P.C.
   PSTRESS=  700.0 pullay stress

  Mass of Ions in am
   POMASS =   7.01
  Ionic Valenz
   ZVAL   =   1.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00
  virtual crystal weights 
   VCA    =   1.00
   NELECT =      40.0000    total number of electrons
   NUPDOWN=      -1.0000    fix difference up-down

 DOS related values:
   EMIN   =  10.00;   EMAX   =-10.00  energy-range for DOS
   EFERMI =   0.00
   ISMEAR =     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 = 0.0010     energy-eigenvalue tresh-hold
   EBREAK =  0.57E-08  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =       6.86        46.30
  Fermi-wavevector in a.u.,A,eV,Ry     =   0.861561  1.628114 10.099427  0.742287
  Thomas-Fermi vector in A             =   1.979233
 
 Write flags
   LWAVE  =      F    write WAVECAR
   LCHARG =      F    write CHGCAR
   LVTOT  =      F    write LOCPOT, total local potential
   LVHAR  =      F    write LOCPOT, Hartree potential only
   LELF   =      F    write electronic localiz. function (ELF)
   LORBIT =      0    0 simple, 1 ext, 2 COOP (PROOUT)


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

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

 Linear response parameters
   LEPSILON=     F    determine dielectric tensor
   LRPA    =     F    only Hartree local field effects (RPA)
   LNABLA  =     F    use nabla operator in PAW spheres
   LVEL    =     F    velocity operator in full k-point grid
   LINTERFAST=   F  fast interpolation
   KINTER  =     0    interpolate to denser k-point grid
   CSHIFT  =0.1000    complex shift for real part using Kramers Kronig
   OMEGAMAX=  -1.0    maximum frequency
   DEG_THRESHOLD= 0.2000000E-02 threshold for treating states as degnerate
   RTIME   =    0.100 relaxation time in fs

 Orbital magnetization related:
   ORBITALMAG=     F  switch on orbital magnetization
   LCHIMAG   =     F  perturbation theory with respect to B field
   DQ        =  0.001000  dq finite difference perturbation B field



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


 conjugate gradient relaxation of ions
 charge density and potential will be updated during run
 non-spin polarized calculation
 Variant of blocked Davidson
 Davidson routine will perform the subspace rotation
 perform sub-space diagonalisation
    after iterative eigenvector-optimisation
 modified Broyden-mixing scheme, WC =      100.0
 initial mixing is a Kerker type mixing with AMIX =  0.4000 and BMIX =      1.0000
 Hartree-type preconditioning will be used
 using additional bands           24
 reciprocal scheme for non local part
 use partial core corrections
 calculate Harris-corrections to forces 
   (improved forces if not selfconsistent)
 use gradient corrections 
 use of overlap-Matrix (Vanderbilt PP)
 Methfessel and Paxton  Order N= 1 SIGMA  =   0.20


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


  energy-cutoff  :      650.00
  volume of cell :      274.43
      direct lattice vectors                 reciprocal lattice vectors
     6.788599968  0.000000000  0.000000000     0.147305778  0.000000000  0.000000000
     0.000000000  8.062199593  0.000000000     0.000000000  0.124035629  0.000000000
     0.000000000  0.000000000  5.014100075     0.000000000  0.000000000  0.199437583

  length of vectors
     6.788599968  8.062199593  5.014100075     0.147305778  0.124035629  0.199437583


 
 k-points in units of 2pi/SCALE and weight: K-Mesh Generated with KP-Resolved Value 
   0.00000000  0.01033630  0.00997188       0.010
   0.02104368  0.01033630  0.00997188       0.019
   0.04208737  0.01033630  0.00997188       0.019
   0.06313105  0.01033630  0.00997188       0.019
   0.00000000  0.03100891  0.00997188       0.010
   0.02104368  0.03100891  0.00997188       0.019
   0.04208737  0.03100891  0.00997188       0.019
   0.06313105  0.03100891  0.00997188       0.019
   0.00000000  0.05168151  0.00997188       0.010
   0.02104368  0.05168151  0.00997188       0.019
   0.04208737  0.05168151  0.00997188       0.019
   0.06313105  0.05168151  0.00997188       0.019
   0.00000000  0.01033630  0.02991564       0.010
   0.02104368  0.01033630  0.02991564       0.019
   0.04208737  0.01033630  0.02991564       0.019
   0.06313105  0.01033630  0.02991564       0.019
   0.00000000  0.03100891  0.02991564       0.010
   0.02104368  0.03100891  0.02991564       0.019
   0.04208737  0.03100891  0.02991564       0.019
   0.06313105  0.03100891  0.02991564       0.019
   0.00000000  0.05168151  0.02991564       0.010
   0.02104368  0.05168151  0.02991564       0.019
   0.04208737  0.05168151  0.02991564       0.019
   0.06313105  0.05168151  0.02991564       0.019
   0.00000000  0.01033630  0.04985940       0.010
   0.02104368  0.01033630  0.04985940       0.019
   0.04208737  0.01033630  0.04985940       0.019
   0.06313105  0.01033630  0.04985940       0.019
   0.00000000  0.03100891  0.04985940       0.010
   0.02104368  0.03100891  0.04985940       0.019
   0.04208737  0.03100891  0.04985940       0.019
   0.06313105  0.03100891  0.04985940       0.019
   0.00000000  0.05168151  0.04985940       0.010
   0.02104368  0.05168151  0.04985940       0.019
   0.04208737  0.05168151  0.04985940       0.019
   0.06313105  0.05168151  0.04985940       0.019
   0.00000000  0.01033630  0.06980315       0.010
   0.02104368  0.01033630  0.06980315       0.019
   0.04208737  0.01033630  0.06980315       0.019
   0.06313105  0.01033630  0.06980315       0.019
   0.00000000  0.03100891  0.06980315       0.010
   0.02104368  0.03100891  0.06980315       0.019
   0.04208737  0.03100891  0.06980315       0.019
   0.06313105  0.03100891  0.06980315       0.019
   0.00000000  0.05168151  0.06980315       0.010
   0.02104368  0.05168151  0.06980315       0.019
   0.04208737  0.05168151  0.06980315       0.019
   0.06313105  0.05168151  0.06980315       0.019
   0.00000000  0.01033630  0.08974691       0.010
   0.02104368  0.01033630  0.08974691       0.019
   0.04208737  0.01033630  0.08974691       0.019
   0.06313105  0.01033630  0.08974691       0.019
   0.00000000  0.03100891  0.08974691       0.010
   0.02104368  0.03100891  0.08974691       0.019
   0.04208737  0.03100891  0.08974691       0.019
   0.06313105  0.03100891  0.08974691       0.019
   0.00000000  0.05168151  0.08974691       0.010
   0.02104368  0.05168151  0.08974691       0.019
   0.04208737  0.05168151  0.08974691       0.019
   0.06313105  0.05168151  0.08974691       0.019
 
 k-points in reciprocal lattice and weights: K-Mesh Generated with KP-Resolved Value 
   0.00000000  0.08333333  0.05000000       0.010
   0.14285714  0.08333333  0.05000000       0.019
   0.28571429  0.08333333  0.05000000       0.019
   0.42857143  0.08333333  0.05000000       0.019
   0.00000000  0.25000000  0.05000000       0.010
   0.14285714  0.25000000  0.05000000       0.019
   0.28571429  0.25000000  0.05000000       0.019
   0.42857143  0.25000000  0.05000000       0.019
   0.00000000  0.41666667  0.05000000       0.010
   0.14285714  0.41666667  0.05000000       0.019
   0.28571429  0.41666667  0.05000000       0.019
   0.42857143  0.41666667  0.05000000       0.019
   0.00000000  0.08333333  0.15000000       0.010
   0.14285714  0.08333333  0.15000000       0.019
   0.28571429  0.08333333  0.15000000       0.019
   0.42857143  0.08333333  0.15000000       0.019
   0.00000000  0.25000000  0.15000000       0.010
   0.14285714  0.25000000  0.15000000       0.019
   0.28571429  0.25000000  0.15000000       0.019
   0.42857143  0.25000000  0.15000000       0.019
   0.00000000  0.41666667  0.15000000       0.010
   0.14285714  0.41666667  0.15000000       0.019
   0.28571429  0.41666667  0.15000000       0.019
   0.42857143  0.41666667  0.15000000       0.019
   0.00000000  0.08333333  0.25000000       0.010
   0.14285714  0.08333333  0.25000000       0.019
   0.28571429  0.08333333  0.25000000       0.019
   0.42857143  0.08333333  0.25000000       0.019
   0.00000000  0.25000000  0.25000000       0.010
   0.14285714  0.25000000  0.25000000       0.019
   0.28571429  0.25000000  0.25000000       0.019
   0.42857143  0.25000000  0.25000000       0.019
   0.00000000  0.41666667  0.25000000       0.010
   0.14285714  0.41666667  0.25000000       0.019
   0.28571429  0.41666667  0.25000000       0.019
   0.42857143  0.41666667  0.25000000       0.019
   0.00000000  0.08333333  0.35000000       0.010
   0.14285714  0.08333333  0.35000000       0.019
   0.28571429  0.08333333  0.35000000       0.019
   0.42857143  0.08333333  0.35000000       0.019
   0.00000000  0.25000000  0.35000000       0.010
   0.14285714  0.25000000  0.35000000       0.019
   0.28571429  0.25000000  0.35000000       0.019
   0.42857143  0.25000000  0.35000000       0.019
   0.00000000  0.41666667  0.35000000       0.010
   0.14285714  0.41666667  0.35000000       0.019
   0.28571429  0.41666667  0.35000000       0.019
   0.42857143  0.41666667  0.35000000       0.019
   0.00000000  0.08333333  0.45000000       0.010
   0.14285714  0.08333333  0.45000000       0.019
   0.28571429  0.08333333  0.45000000       0.019
   0.42857143  0.08333333  0.45000000       0.019
   0.00000000  0.25000000  0.45000000       0.010
   0.14285714  0.25000000  0.45000000       0.019
   0.28571429  0.25000000  0.45000000       0.019
   0.42857143  0.25000000  0.45000000       0.019
   0.00000000  0.41666667  0.45000000       0.010
   0.14285714  0.41666667  0.45000000       0.019
   0.28571429  0.41666667  0.45000000       0.019
   0.42857143  0.41666667  0.45000000       0.019
 
 position of ions in fractional coordinates (direct lattice) 
   0.09314000  0.11631000  0.00000000
   0.90685998  0.88368998  0.00000000
   0.59314002  0.38369001  0.00000000
   0.40686001  0.61631002  0.00000000
   0.09314000  0.61631002  0.50000000
   0.90685998  0.38369001  0.50000000
   0.59314002  0.88368998  0.50000000
   0.40686001  0.11631000  0.50000000
   0.86299996  0.90313999  0.31378999
   0.13700002  0.09686000  0.31378999
   0.36299993  0.59686001  0.31378999
   0.63700004  0.40314001  0.31378999
   0.86299996  0.40314001  0.81378996
   0.13700002  0.59686001  0.81378996
   0.36299993  0.09686000  0.81378996
   0.63700004  0.90313999  0.81378996
   0.96783003  0.11691001  0.59407004
   0.03217000  0.88309002  0.59407004
   0.46782993  0.38308999  0.59407004
   0.53217000  0.61690998  0.59407004
   0.96783003  0.61690998  0.09406996
   0.03217000  0.38308999  0.09406996
   0.46782993  0.88309002  0.09406996
   0.53217000  0.11691001  0.09406996
   0.35129000  0.26808000  0.17587000
   0.64871003  0.73192000  0.17587000
   0.85128997  0.23192000  0.17587000
   0.14871002  0.76808000  0.17587000
   0.35129000  0.76808000  0.67586999
   0.64871003  0.23192000  0.67586999
   0.85128997  0.73192000  0.67586999
   0.14871002  0.26808000  0.67586999
   0.29006999  0.91185000  0.37705001
   0.70993001  0.08815000  0.37705001
   0.79006999  0.58815000  0.37705001
   0.20993001  0.41185000  0.37705001
   0.29006999  0.41185000  0.87705008
   0.70993001  0.58815000  0.87705008
   0.79006999  0.08815000  0.87705008
   0.20993001  0.91185000  0.87705008
 
 position of ions in cartesian coordinates  (Angst):
   0.63229019  0.93771446  0.00000000
   6.15630960  7.12448501  0.00000000
   4.02659035  3.09338546  0.00000000
   2.76200986  4.96881438  0.00000000
   0.63229019  4.96881438  2.50705004
   6.15630960  3.09338546  2.50705004
   4.02659035  7.12448501  2.50705004
   2.76200986  0.93771446  2.50705004
   5.85856151  7.28129482  1.57337439
   0.93003833  0.78090465  1.57337439
   2.46426129  4.81200457  1.57337439
   4.32433844  3.25019526  1.57337439
   5.85856151  3.25019526  4.08042431
   0.93003833  4.81200457  4.08042431
   2.46426129  0.78090465  4.08042431
   4.32433844  7.28129482  4.08042431
   6.57021093  0.94255179  2.97872663
   0.21838924  7.11964798  2.97872663
   3.17591023  3.08854795  2.97872663
   3.61268926  4.97365141  2.97872663
   6.57021093  4.97365141  0.47167617
   0.21838924  3.08854795  0.47167617
   3.17591023  7.11964798  0.47167617
   3.61268926  0.94255179  0.47167617
   2.38476730  2.16131449  0.88182980
   4.40383291  5.90088510  0.88182980
   5.77906704  1.86978531  0.88182980
   1.00953281  6.19241429  0.88182980
   2.38476730  6.19241429  3.38887978
   4.40383291  1.86978531  3.38887978
   5.77906704  5.90088510  3.38887978
   1.00953281  2.16131449  3.38887978
   1.96916914  7.35151672  1.89056647
   4.81943083  0.71068293  1.89056647
   5.36346912  4.74178267  1.89056647
   1.42513085  3.32041693  1.89056647
   1.96916914  3.32041693  4.39761686
   4.81943083  4.74178267  4.39761686
   5.36346912  0.71068293  4.39761686
   1.42513085  7.35151672  4.39761686
 


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


 k-point  1 :   0.0000 0.0833 0.0500  plane waves:   10328
 k-point  2 :   0.1429 0.0833 0.0500  plane waves:   10329
 k-point  3 :   0.2857 0.0833 0.0500  plane waves:   10343
 k-point  4 :   0.4286 0.0833 0.0500  plane waves:   10347
 k-point  5 :   0.0000 0.2500 0.0500  plane waves:   10357
 k-point  6 :   0.1429 0.2500 0.0500  plane waves:   10339
 k-point  7 :   0.2857 0.2500 0.0500  plane waves:   10331
 k-point  8 :   0.4286 0.2500 0.0500  plane waves:   10326
 k-point  9 :   0.0000 0.4167 0.0500  plane waves:   10328
 k-point 10 :   0.1429 0.4167 0.0500  plane waves:   10344
 k-point 11 :   0.2857 0.4167 0.0500  plane waves:   10341
 k-point 12 :   0.4286 0.4167 0.0500  plane waves:   10333
 k-point 13 :   0.0000 0.0833 0.1500  plane waves:   10336
 k-point 14 :   0.1429 0.0833 0.1500  plane waves:   10331
 k-point 15 :   0.2857 0.0833 0.1500  plane waves:   10328
 k-point 16 :   0.4286 0.0833 0.1500  plane waves:   10334
 k-point 17 :   0.0000 0.2500 0.1500  plane waves:   10343
 k-point 18 :   0.1429 0.2500 0.1500  plane waves:   10327
 k-point 19 :   0.2857 0.2500 0.1500  plane waves:   10330
 k-point 20 :   0.4286 0.2500 0.1500  plane waves:   10341
 k-point 21 :   0.0000 0.4167 0.1500  plane waves:   10336
 k-point 22 :   0.1429 0.4167 0.1500  plane waves:   10337
 k-point 23 :   0.2857 0.4167 0.1500  plane waves:   10343
 k-point 24 :   0.4286 0.4167 0.1500  plane waves:   10333
 k-point 25 :   0.0000 0.0833 0.2500  plane waves:   10319
 k-point 26 :   0.1429 0.0833 0.2500  plane waves:   10325
 k-point 27 :   0.2857 0.0833 0.2500  plane waves:   10329
 k-point 28 :   0.4286 0.0833 0.2500  plane waves:   10334
 k-point 29 :   0.0000 0.2500 0.2500  plane waves:   10325
 k-point 30 :   0.1429 0.2500 0.2500  plane waves:   10322
 k-point 31 :   0.2857 0.2500 0.2500  plane waves:   10331
 k-point 32 :   0.4286 0.2500 0.2500  plane waves:   10331
 k-point 33 :   0.0000 0.4167 0.2500  plane waves:   10340
 k-point 34 :   0.1429 0.4167 0.2500  plane waves:   10329
 k-point 35 :   0.2857 0.4167 0.2500  plane waves:   10325
 k-point 36 :   0.4286 0.4167 0.2500  plane waves:   10327
 k-point 37 :   0.0000 0.0833 0.3500  plane waves:   10306
 k-point 38 :   0.1429 0.0833 0.3500  plane waves:   10306
 k-point 39 :   0.2857 0.0833 0.3500  plane waves:   10328
 k-point 40 :   0.4286 0.0833 0.3500  plane waves:   10328
 k-point 41 :   0.0000 0.2500 0.3500  plane waves:   10311
 k-point 42 :   0.1429 0.2500 0.3500  plane waves:   10316
 k-point 43 :   0.2857 0.2500 0.3500  plane waves:   10314
 k-point 44 :   0.4286 0.2500 0.3500  plane waves:   10330
 k-point 45 :   0.0000 0.4167 0.3500  plane waves:   10307
 k-point 46 :   0.1429 0.4167 0.3500  plane waves:   10316
 k-point 47 :   0.2857 0.4167 0.3500  plane waves:   10318
 k-point 48 :   0.4286 0.4167 0.3500  plane waves:   10334
 k-point 49 :   0.0000 0.0833 0.4500  plane waves:   10285
 k-point 50 :   0.1429 0.0833 0.4500  plane waves:   10305
 k-point 51 :   0.2857 0.0833 0.4500  plane waves:   10314
 k-point 52 :   0.4286 0.0833 0.4500  plane waves:   10328
 k-point 53 :   0.0000 0.2500 0.4500  plane waves:   10279
 k-point 54 :   0.1429 0.2500 0.4500  plane waves:   10282
 k-point 55 :   0.2857 0.2500 0.4500  plane waves:   10317
 k-point 56 :   0.4286 0.2500 0.4500  plane waves:   10316
 k-point 57 :   0.0000 0.4167 0.4500  plane waves:   10306
 k-point 58 :   0.1429 0.4167 0.4500  plane waves:   10314
 k-point 59 :   0.2857 0.4167 0.4500  plane waves:   10301
 k-point 60 :   0.4286 0.4167 0.4500  plane waves:   10336

 maximum and minimum number of plane-waves per node :      1056     1007

 maximum number of plane-waves:     10357
 maximum index in each direction: 
   IXMAX=   14   IYMAX=   16   IZMAX=   10
   IXMIN=  -14   IYMIN=  -17   IZMIN=  -10

 WARNING: aliasing errors must be expected set NGX to  58 to avoid them
 WARNING: aliasing errors must be expected set NGY to  68 to avoid them
 WARNING: aliasing errors must be expected set NGZ to  42 to avoid them
 aliasing errors are usually negligible using standard VASP settings
 and one can safely disregard these warnings

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


 total amount of memory used by VASP on root node    46714. kBytes
========================================================================

   base      :      30000. kBytes
   nonl-proj :       3210. kBytes
   fftplans  :        874. kBytes
   grid      :       1264. kBytes
   one-center:          4. kBytes
   wavefun   :      11362. kBytes
 
     INWAV:  cpu time    0.0000: real time    0.0000
 Broyden mixing: mesh for mixing (old mesh)
   NGX = 29   NGY = 33   NGZ = 21
  (NGX  = 84   NGY  =100   NGZ  = 64)
  gives a total of  20097 points

 initial charge density was supplied:
 charge density of overlapping atoms calculated
 number of electron      40.0000000 magnetization 
 keeping initial charge density in first step


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


 Maximum index for augmentation-charges          920 (set IRDMAX)


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


 First call to EWALD:  gamma=   0.273
 Maximum number of real-space cells 3x 2x 3
 Maximum number of reciprocal cells 3x 3x 2

 FEWALD executed in parallel
    FEWALD:  cpu time    0.0040: real time    0.0051


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


    POTLOK:  cpu time    0.0238: real time    0.0251
    SETDIJ:  cpu time    0.0072: real time    0.0080
     EDDAV:  cpu time    5.1757: real time    5.2048
       DOS:  cpu time    0.0060: real time    0.0060
    --------------------------------------------
      LOOP:  cpu time    5.2164: real time    5.2487

 eigenvalue-minimisations  :  5280
 total energy-change (2. order) : 0.9421387E+02  (-0.1528001E+04)
 number of electron      40.0000000 magnetization 
 augmentation part       40.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        15.27370333
  Ewald energy   TEWEN  =      -428.55742867
  -Hartree energ DENC   =        -0.11721019
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      -155.09374907
  PAW double counting   =       306.50462356      -84.16909176
  entropy T*S    EENTRO =         0.00691706
  eigenvalues    EBANDS =       228.36218860
  atomic energy  EATOM  =       212.00391708
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =        94.21386994 eV

  energy without entropy =       94.20695288  energy(sigma->0) =       94.21156425


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




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


     EDDAV:  cpu time    5.2739: real time    5.2744
       DOS:  cpu time    0.0070: real time    0.0070
    --------------------------------------------
      LOOP:  cpu time    5.2828: real time    5.2834

 eigenvalue-minimisations  :  6068
 total energy-change (2. order) :-0.1046978E+03  (-0.9729384E+02)
 number of electron      40.0000000 magnetization 
 augmentation part       40.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        15.27370333
  Ewald energy   TEWEN  =      -428.55742867
  -Hartree energ DENC   =        -0.11721019
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      -155.09374907
  PAW double counting   =       306.50462356      -84.16909176
  entropy T*S    EENTRO =         0.00517401
  eigenvalues    EBANDS =       123.66612000
  atomic energy  EATOM  =       212.00391708
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -10.48394170 eV

  energy without entropy =      -10.48911571  energy(sigma->0) =      -10.48566637


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




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


     EDDAV:  cpu time    5.6954: real time    5.6976
       DOS:  cpu time    0.0068: real time    0.0068
    --------------------------------------------
      LOOP:  cpu time    5.7043: real time    5.7065

 eigenvalue-minimisations  :  6764
 total energy-change (2. order) :-0.4539957E+01  (-0.4406030E+01)
 number of electron      40.0000000 magnetization 
 augmentation part       40.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        15.27370333
  Ewald energy   TEWEN  =      -428.55742867
  -Hartree energ DENC   =        -0.11721019
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      -155.09374907
  PAW double counting   =       306.50462356      -84.16909176
  entropy T*S    EENTRO =         0.00929062
  eigenvalues    EBANDS =       119.12204603
  atomic energy  EATOM  =       212.00391708
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -15.02389907 eV

  energy without entropy =      -15.03318968  energy(sigma->0) =      -15.02699594


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




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


     EDDAV:  cpu time    5.3601: real time    5.3606
       DOS:  cpu time    0.0069: real time    0.0069
    --------------------------------------------
      LOOP:  cpu time    5.3689: real time    5.3701

 eigenvalue-minimisations  :  6368
 total energy-change (2. order) :-0.6621817E-01  (-0.6605004E-01)
 number of electron      40.0000000 magnetization 
 augmentation part       40.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        15.27370333
  Ewald energy   TEWEN  =      -428.55742867
  -Hartree energ DENC   =        -0.11721019
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      -155.09374907
  PAW double counting   =       306.50462356      -84.16909176
  entropy T*S    EENTRO =         0.00939682
  eigenvalues    EBANDS =       119.05572167
  atomic energy  EATOM  =       212.00391708
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -15.09011724 eV

  energy without entropy =      -15.09951405  energy(sigma->0) =      -15.09324951


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




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


     EDDAV:  cpu time    5.2311: real time    5.2323
       DOS:  cpu time    0.0070: real time    0.0070
    CHARGE:  cpu time    0.1900: real time    0.1917
    MIXING:  cpu time    0.0040: real time    0.0040
    --------------------------------------------
      LOOP:  cpu time    5.4349: real time    5.4386

 eigenvalue-minimisations  :  6288
 total energy-change (2. order) :-0.9307248E-03  (-0.9306247E-03)
 number of electron      39.9999999 magnetization 
 augmentation part        0.9754056 magnetization 

 Broyden mixing:
  rms(total) = 0.49525E+00    rms(broyden)= 0.49525E+00
  rms(prec ) = 0.71737E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        15.27370333
  Ewald energy   TEWEN  =      -428.55742867
  -Hartree energ DENC   =        -0.11721019
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      -155.09374907
  PAW double counting   =       306.50462356      -84.16909176
  entropy T*S    EENTRO =         0.00939720
  eigenvalues    EBANDS =       119.05479055
  atomic energy  EATOM  =       212.00391708
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -15.09104796 eV

  energy without entropy =      -15.10044516  energy(sigma->0) =      -15.09418036


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




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


    POTLOK:  cpu time    0.0237: real time    0.0248
    SETDIJ:  cpu time    0.0070: real time    0.0079
     EDDAV:  cpu time    5.3933: real time    5.3947
       DOS:  cpu time    0.0071: real time    0.0071
    CHARGE:  cpu time    0.1759: real time    0.1759
    MIXING:  cpu time    0.0040: real time    0.0040
    --------------------------------------------
      LOOP:  cpu time    5.6125: real time    5.6167

 eigenvalue-minimisations  :  6092
 total energy-change (2. order) : 0.2211266E+01  (-0.1259117E-01)
 number of electron      39.9999999 magnetization 
 augmentation part        0.9870235 magnetization 

 Broyden mixing:
  rms(total) = 0.31558E+00    rms(broyden)= 0.31558E+00
  rms(prec ) = 0.45466E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.7248
  2.7248

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        15.27370333
  Ewald energy   TEWEN  =      -428.55742867
  -Hartree energ DENC   =        -0.71849548
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      -153.71901439
  PAW double counting   =       560.76212176     -339.60306216
  entropy T*S    EENTRO =         0.00996571
  eigenvalues    EBANDS =       121.66851084
  atomic energy  EATOM  =       212.00391708
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -12.87978199 eV

  energy without entropy =      -12.88974770  energy(sigma->0) =      -12.88310389


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




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


    POTLOK:  cpu time    0.0214: real time    0.0224
    SETDIJ:  cpu time    0.0056: real time    0.0067
     EDDAV:  cpu time    5.1508: real time    5.1514
       DOS:  cpu time    0.0072: real time    0.0072
    CHARGE:  cpu time    0.1700: real time    0.1700
    MIXING:  cpu time    0.0043: real time    0.0043
    --------------------------------------------
      LOOP:  cpu time    5.3605: real time    5.3637

 eigenvalue-minimisations  :  5864
 total energy-change (2. order) : 0.1145011E+01  (-0.1998764E-01)
 number of electron      39.9999999 magnetization 
 augmentation part        0.9929389 magnetization 

 Broyden mixing:
  rms(total) = 0.24844E-01    rms(broyden)= 0.24844E-01
  rms(prec ) = 0.44815E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.1846
  1.7077  2.6616

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        15.27370333
  Ewald energy   TEWEN  =      -428.55742867
  -Hartree energ DENC   =        -2.97592931
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      -150.99991511
  PAW double counting   =      1359.37480446    -1141.44254073
  entropy T*S    EENTRO =         0.01049742
  eigenvalues    EBANDS =       125.57812059
  atomic energy  EATOM  =       212.00391708
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -11.73477095 eV

  energy without entropy =      -11.74526837  energy(sigma->0) =      -11.73827009


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




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


    POTLOK:  cpu time    0.0212: real time    0.0221
    SETDIJ:  cpu time    0.0058: real time    0.0072
     EDDAV:  cpu time    5.2313: real time    5.2318
       DOS:  cpu time    0.0073: real time    0.0073
    CHARGE:  cpu time    0.1746: real time    0.1746
    MIXING:  cpu time    0.0043: real time    0.0043
    --------------------------------------------
      LOOP:  cpu time    5.4460: real time    5.4492

 eigenvalue-minimisations  :  5976
 total energy-change (2. order) : 0.6408066E-02  (-0.1221800E-02)
 number of electron      39.9999999 magnetization 
 augmentation part        0.9926545 magnetization 

 Broyden mixing:
  rms(total) = 0.60304E-02    rms(broyden)= 0.60304E-02
  rms(prec ) = 0.88461E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9449
  1.2511  2.8012  1.7824

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        15.27370333
  Ewald energy   TEWEN  =      -428.55742867
  -Hartree energ DENC   =        -3.03212432
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      -150.92884545
  PAW double counting   =      1321.97486650    -1103.87513230
  entropy T*S    EENTRO =         0.01026520
  eigenvalues    EBANDS =       125.40241576
  atomic energy  EATOM  =       212.00391708
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -11.72836289 eV

  energy without entropy =      -11.73862808  energy(sigma->0) =      -11.73178462


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




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


    POTLOK:  cpu time    0.0215: real time    0.0215
    SETDIJ:  cpu time    0.0061: real time    0.0061
     EDDAV:  cpu time    5.6647: real time    5.6653
       DOS:  cpu time    0.0072: real time    0.0072
    CHARGE:  cpu time    0.2291: real time    0.2291
    MIXING:  cpu time    0.0044: real time    0.0044
    --------------------------------------------
      LOOP:  cpu time    5.9340: real time    5.9346

 eigenvalue-minimisations  :  6844
 total energy-change (2. order) : 0.1719636E-03  (-0.3365522E-04)
 number of electron      39.9999999 magnetization 
 augmentation part        0.9926193 magnetization 

 Broyden mixing:
  rms(total) = 0.25885E-02    rms(broyden)= 0.25885E-02
  rms(prec ) = 0.34370E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9349
  0.9781  2.7500  2.2677  1.7440

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        15.27370333
  Ewald energy   TEWEN  =      -428.55742867
  -Hartree energ DENC   =        -3.08493622
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      -150.87896537
  PAW double counting   =      1320.17792434    -1102.06162855
  entropy T*S    EENTRO =         0.01025545
  eigenvalues    EBANDS =       125.38896768
  atomic energy  EATOM  =       212.00391708
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -11.72819092 eV

  energy without entropy =      -11.73844637  energy(sigma->0) =      -11.73160940


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




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


    POTLOK:  cpu time    0.0227: real time    0.0227
    SETDIJ:  cpu time    0.0073: real time    0.0073
     EDDAV:  cpu time    5.1710: real time    5.1719
       DOS:  cpu time    0.0071: real time    0.0071
    CHARGE:  cpu time    0.1803: real time    0.1803
    MIXING:  cpu time    0.0039: real time    0.0039
    --------------------------------------------
      LOOP:  cpu time    5.3936: real time    5.3945

 eigenvalue-minimisations  :  6164
 total energy-change (2. order) : 0.3671894E-03  (-0.3123589E-05)
 number of electron      39.9999999 magnetization 
 augmentation part        0.9926508 magnetization 

 Broyden mixing:
  rms(total) = 0.56143E-03    rms(broyden)= 0.56143E-03
  rms(prec ) = 0.81450E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8835
  2.7030  2.6021  0.9807  1.5658  1.5658

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        15.27370333
  Ewald energy   TEWEN  =      -428.55742867
  -Hartree energ DENC   =        -3.07431527
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      -150.89092025
  PAW double counting   =      1305.92349693    -1087.75451677
  entropy T*S    EENTRO =         0.01025477
  eigenvalues    EBANDS =       125.33798512
  atomic energy  EATOM  =       212.00391708
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -11.72782373 eV

  energy without entropy =      -11.73807850  energy(sigma->0) =      -11.73124199


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




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


    POTLOK:  cpu time    0.0202: real time    0.0202
    SETDIJ:  cpu time    0.0062: real time    0.0062
     EDDAV:  cpu time    5.1411: real time    5.1424
       DOS:  cpu time    0.0073: real time    0.0073
    CHARGE:  cpu time    0.1825: real time    0.1842
    MIXING:  cpu time    0.0046: real time    0.0046
    --------------------------------------------
      LOOP:  cpu time    5.3629: real time    5.3659

 eigenvalue-minimisations  :  5916
 total energy-change (2. order) : 0.2800814E-04  (-0.4020185E-06)
 number of electron      39.9999999 magnetization 
 augmentation part        0.9926853 magnetization 

 Broyden mixing:
  rms(total) = 0.15990E-03    rms(broyden)= 0.15990E-03
  rms(prec ) = 0.28067E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7990
  2.7235  2.5585  1.9091  1.6152  0.9940  0.9940

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        15.27370333
  Ewald energy   TEWEN  =      -428.55742867
  -Hartree energ DENC   =        -3.07334372
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      -150.89197701
  PAW double counting   =      1302.61510879    -1084.43332099
  entropy T*S    EENTRO =         0.01025366
  eigenvalues    EBANDS =       125.32529182
  atomic energy  EATOM  =       212.00391708
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -11.72779572 eV

  energy without entropy =      -11.73804938  energy(sigma->0) =      -11.73121361


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




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


    POTLOK:  cpu time    0.0233: real time    0.0242
    SETDIJ:  cpu time    0.0072: real time    0.0080
     EDDAV:  cpu time    3.6909: real time    3.6914
       DOS:  cpu time    0.0074: real time    0.0074
    CHARGE:  cpu time    0.1703: real time    0.1703
    MIXING:  cpu time    0.0051: real time    0.0051
    --------------------------------------------
      LOOP:  cpu time    3.9054: real time    3.9081

 eigenvalue-minimisations  :  3276
 total energy-change (2. order) :-0.1412576E-05  (-0.3648141E-07)
 number of electron      39.9999999 magnetization 
 augmentation part        0.9926911 magnetization 

 Broyden mixing:
  rms(total) = 0.44535E-04    rms(broyden)= 0.44535E-04
  rms(prec ) = 0.62880E-04
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8655
  2.7315  2.7315  2.4223  0.9894  0.9703  1.6066  1.6066

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        15.27370333
  Ewald energy   TEWEN  =      -428.55742867
  -Hartree energ DENC   =        -3.07361865
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      -150.89174915
  PAW double counting   =      1302.90434869    -1084.72351983
  entropy T*S    EENTRO =         0.01025531
  eigenvalues    EBANDS =       125.32629476
  atomic energy  EATOM  =       212.00391708
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -11.72779714 eV

  energy without entropy =      -11.73805245  energy(sigma->0) =      -11.73121557


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




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


    POTLOK:  cpu time    0.0218: real time    0.0218
    SETDIJ:  cpu time    0.0056: real time    0.0056
     EDDAV:  cpu time    3.6313: real time    3.6317
       DOS:  cpu time    0.0074: real time    0.0074
    --------------------------------------------
      LOOP:  cpu time    3.6671: real time    3.6674

 eigenvalue-minimisations  :  3216
 total energy-change (2. order) :-0.6694220E-06  (-0.6703544E-08)
 number of electron      39.9999999 magnetization 
 augmentation part        0.9926911 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        15.27370333
  Ewald energy   TEWEN  =      -428.55742867
  -Hartree energ DENC   =        -3.07355998
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      -150.89174389
  PAW double counting   =      1303.05189857    -1084.87142987
  entropy T*S    EENTRO =         0.01025529
  eigenvalues    EBANDS =       125.32659035
  atomic energy  EATOM  =       212.00391708
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =       -11.72779781 eV

  energy without entropy =      -11.73805310  energy(sigma->0) =      -11.73121624


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




 average (electrostatic) potential at core
  the test charge radii are     0.9748
  (the norm of the test charge is              1.0000)
       1 -25.7442       2 -25.7442       3 -25.7442       4 -25.7442       5 -25.7442
       6 -25.7442       7 -25.7442       8 -25.7442       9 -25.6706      10 -25.6706
      11 -25.6706      12 -25.6706      13 -25.6706      14 -25.6706      15 -25.6706
      16 -25.6706      17 -25.7079      18 -25.7079      19 -25.7079      20 -25.7079
      21 -25.7079      22 -25.7079      23 -25.7079      24 -25.7079      25 -25.6277
      26 -25.6277      27 -25.6277      28 -25.6277      29 -25.6277      30 -25.6277
      31 -25.6277      32 -25.6277      33 -25.8104      34 -25.8104      35 -25.8104
      36 -25.8104      37 -25.8104      38 -25.8104      39 -25.8104      40 -25.8104
 
 
 
 E-fermi :   4.6817     XC(G=0):  -9.6864     alpha+bet :-21.4074


 k-point     1 :       0.0000    0.0833    0.0500
  band No.  band energies     occupation 
      1       1.2948      2.00000
      2       1.7985      2.00000
      3       2.0215      2.00000
      4       2.2784      2.00000
      5       2.3253      2.00000
      6       2.7582      2.00000
      7       2.8753      2.00000
      8       3.0121      2.00000
      9       3.1115      2.00000
     10       3.1703      2.00000
     11       3.4186      2.00000
     12       3.4929      2.00000
     13       3.6204      2.00000
     14       3.6602      2.00000
     15       3.7350      2.00000
     16       3.8402      2.00000
     17       4.0361      2.00005
     18       4.3921      2.05978
     19       4.4228      2.06956
     20       4.6056      1.59526
     21       5.8048     -0.00000
     22       6.0147     -0.00000
     23       6.2714     -0.00000
     24       6.4352     -0.00000
     25       6.4952     -0.00000
     26       6.6271     -0.00000
     27       6.8833     -0.00000
     28       7.4342     -0.00000
     29       7.4610     -0.00000
     30       7.6234     -0.00000
     31       7.6812     -0.00000
     32       7.7765     -0.00000
     33       8.3976     -0.00000
     34       8.5416     -0.00000
     35       9.2153     -0.00000
     36       9.3705     -0.00000
     37       9.6022     -0.00000
     38       9.8419     -0.00000
     39      10.1997      0.00000
     40      10.3109      0.00000
     41      10.5626      0.00000
     42      10.7211      0.00000
     43      10.9478      0.00000
     44      11.2410      0.00000

 k-point     2 :       0.1429    0.0833    0.0500
  band No.  band energies     occupation 
      1       1.3118      2.00000
      2       1.8176      2.00000
      3       2.0039      2.00000
      4       2.0413      2.00000
      5       2.5328      2.00000
      6       2.6643      2.00000
      7       2.7752      2.00000
      8       3.1105      2.00000
      9       3.2087      2.00000
     10       3.3808      2.00000
     11       3.4462      2.00000
     12       3.5048      2.00000
     13       3.5874      2.00000
     14       3.6771      2.00000
     15       3.7623      2.00000
     16       3.8441      2.00000
     17       3.9773      2.00001
     18       4.2672      2.01257
     19       4.4426      2.07064
     20       4.6580      1.19874
     21       5.6930     -0.00000
     22       5.8685     -0.00000
     23       6.2226     -0.00000
     24       6.3218     -0.00000
     25       6.4678     -0.00000
     26       6.8317     -0.00000
     27       6.9514     -0.00000
     28       7.1451     -0.00000
     29       7.4475     -0.00000
     30       7.6118     -0.00000
     31       7.6180     -0.00000
     32       7.7152     -0.00000
     33       8.7207     -0.00000
     34       8.7346     -0.00000
     35       9.2293     -0.00000
     36       9.2871     -0.00000
     37       9.6262     -0.00000
     38       9.8075     -0.00000
     39      10.1707      0.00000
     40      10.3942      0.00000
     41      10.4718      0.00000
     42      10.6338      0.00000
     43      11.2667      0.00000
     44      11.3526      0.00000

 k-point     3 :       0.2857    0.0833    0.0500
  band No.  band energies     occupation 
      1       1.3639      2.00000
      2       1.7679      2.00000
      3       1.8754      2.00000
      4       2.1010      2.00000
      5       2.3017      2.00000
      6       2.5392      2.00000
      7       3.0878      2.00000
      8       3.2103      2.00000
      9       3.4675      2.00000
     10       3.4913      2.00000
     11       3.5252      2.00000
     12       3.5426      2.00000
     13       3.6575      2.00000
     14       3.7613      2.00000
     15       3.7750      2.00000
     16       3.8497      2.00000
     17       3.9499      2.00000
     18       4.0506      2.00008
     19       4.3820      2.05546
     20       4.5740      1.78117
     21       5.6062     -0.00000
     22       5.7017     -0.00000
     23       6.0935     -0.00000
     24       6.1527     -0.00000
     25       6.2069     -0.00000
     26       6.5496     -0.00000
     27       7.0858     -0.00000
     28       7.3466     -0.00000
     29       7.4573     -0.00000
     30       7.5599     -0.00000
     31       7.5866     -0.00000
     32       7.9022     -0.00000
     33       8.8463     -0.00000
     34       8.8788     -0.00000
     35       9.1454     -0.00000
     36       9.2894     -0.00000
     37       9.5942     -0.00000
     38       9.7189     -0.00000
     39      10.2123      0.00000
     40      10.2810      0.00000
     41      10.6295      0.00000
     42      10.8272      0.00000
     43      11.4441      0.00000
     44      11.5606      0.00000

 k-point     4 :       0.4286    0.0833    0.0500
  band No.  band energies     occupation 
      1       1.4539      2.00000
      2       1.5867      2.00000
      3       1.9734      2.00000
      4       2.1133      2.00000
      5       2.2048      2.00000
      6       2.3487      2.00000
      7       3.2922      2.00000
      8       3.3899      2.00000
      9       3.5514      2.00000
     10       3.5983      2.00000
     11       3.6487      2.00000
     12       3.6543      2.00000
     13       3.7074      2.00000
     14       3.7328      2.00000
     15       3.8427      2.00000
     16       3.8833      2.00000
     17       3.9413      2.00000
     18       4.0050      2.00002
     19       4.1544      2.00123
     20       4.3470      2.03944
     21       5.6346     -0.00000
     22       5.7552     -0.00000
     23       5.9463     -0.00000
     24       5.9549     -0.00000
     25       6.0684     -0.00000
     26       6.0872     -0.00000
     27       7.2676     -0.00000
     28       7.4452     -0.00000
     29       7.4774     -0.00000
     30       7.5241     -0.00000
     31       7.9514     -0.00000
     32       8.2283     -0.00000
     33       8.4897     -0.00000
     34       8.5880     -0.00000
     35       9.2683     -0.00000
     36       9.3311     -0.00000
     37       9.5064     -0.00000
     38       9.5930     -0.00000
     39      10.1991      0.00000
     40      10.2732      0.00000
     41      10.9287      0.00000
     42      11.0249      0.00000
     43      11.6789      0.00000
     44      11.7683      0.00000

 k-point     5 :       0.0000    0.2500    0.0500
  band No.  band energies     occupation 
      1       1.3254      2.00000
      2       1.6208      2.00000
      3       2.2862      2.00000
      4       2.3073      2.00000
      5       2.3596      2.00000
      6       2.5924      2.00000
      7       2.6952      2.00000
      8       3.1853      2.00000
      9       3.2281      2.00000
     10       3.2854      2.00000
     11       3.3706      2.00000
     12       3.4315      2.00000
     13       3.6264      2.00000
     14       3.7194      2.00000
     15       3.7254      2.00000
     16       3.9114      2.00000
     17       3.9542      2.00000
     18       4.2214      2.00537
     19       4.2496      2.00921
     20       4.4507      2.06927
     21       5.9548     -0.00000
     22       6.0983     -0.00000
     23       6.3133     -0.00000
     24       6.5418     -0.00000
     25       6.6497     -0.00000
     26       6.7514     -0.00000
     27       6.8021     -0.00000
     28       7.0885     -0.00000
     29       7.5897     -0.00000
     30       7.6601     -0.00000
     31       7.7470     -0.00000
     32       8.0008     -0.00000
     33       8.3622     -0.00000
     34       8.5632     -0.00000
     35       9.2924     -0.00000
     36       9.3985     -0.00000
     37       9.4854     -0.00000
     38       9.5983     -0.00000
     39       9.9405     -0.00000
     40      10.3163      0.00000
     41      10.3255      0.00000
     42      10.8550      0.00000
     43      10.9043      0.00000
     44      11.3587      0.00000

 k-point     6 :       0.1429    0.2500    0.0500
  band No.  band energies     occupation 
      1       1.3425      2.00000
      2       1.6392      2.00000
      3       2.0362      2.00000
      4       2.2999      2.00000
      5       2.3587      2.00000
      6       2.6928      2.00000
      7       2.9783      2.00000
      8       3.0530      2.00000
      9       3.2191      2.00000
     10       3.2559      2.00000
     11       3.4466      2.00000
     12       3.5731      2.00000
     13       3.6180      2.00000
     14       3.7366      2.00000
     15       3.7445      2.00000
     16       3.9112      2.00000
     17       3.9163      2.00000
     18       4.0423      2.00006
     19       4.3248      2.03007
     20       4.4990      2.02731
     21       5.8367     -0.00000
     22       6.0259     -0.00000
     23       6.2679     -0.00000
     24       6.3800     -0.00000
     25       6.5561     -0.00000
     26       6.8069     -0.00000
     27       6.9474     -0.00000
     28       7.0245     -0.00000
     29       7.4828     -0.00000
     30       7.6541     -0.00000
     31       7.6700     -0.00000
     32       7.9759     -0.00000
     33       8.6170     -0.00000
     34       8.7373     -0.00000
     35       9.2942     -0.00000
     36       9.3635     -0.00000
     37       9.4203     -0.00000
     38       9.6151     -0.00000
     39      10.0192     -0.00000
     40      10.2214      0.00000
     41      10.3854      0.00000
     42      10.9190      0.00000
     43      10.9296      0.00000
     44      11.4835      0.00000

 k-point     7 :       0.2857    0.2500    0.0500
  band No.  band energies     occupation 
      1       1.3949      2.00000
      2       1.6949      2.00000
      3       1.8004      2.00000
      4       2.1127      2.00000
      5       2.3748      2.00000
      6       2.8204      2.00000
      7       3.1041      2.00000
      8       3.2350      2.00000
      9       3.3419      2.00000
     10       3.3769      2.00000
     11       3.4902      2.00000
     12       3.5275      2.00000
     13       3.7058      2.00000
     14       3.7356      2.00000
     15       3.8256      2.00000
     16       3.8382      2.00000
     17       3.8999      2.00000
     18       3.9557      2.00000
     19       4.2718      2.01358
     20       4.4635      2.06436
     21       5.6847     -0.00000
     22       5.9432     -0.00000
     23       6.0767     -0.00000
     24       6.1406     -0.00000
     25       6.4214     -0.00000
     26       6.5015     -0.00000
     27       6.9223     -0.00000
     28       7.3687     -0.00000
     29       7.4408     -0.00000
     30       7.7044     -0.00000
     31       7.8464     -0.00000
     32       7.9143     -0.00000
     33       8.7209     -0.00000
     34       8.8919     -0.00000
     35       9.1853     -0.00000
     36       9.2586     -0.00000
     37       9.4297     -0.00000
     38       9.5620     -0.00000
     39      10.0364     -0.00000
     40      10.1941      0.00000
     41      10.6055      0.00000
     42      11.0470      0.00000
     43      11.1352      0.00000
     44      11.6737      0.00000

 k-point     8 :       0.4286    0.2500    0.0500
  band No.  band energies     occupation 
      1       1.4854      2.00000
      2       1.6187      2.00000
      3       1.7902      2.00000
      4       1.9283      2.00000
      5       2.4800      2.00000
      6       2.6289      2.00000
      7       3.3264      2.00000
      8       3.4282      2.00000
      9       3.4334      2.00000
     10       3.5348      2.00000
     11       3.6126      2.00000
     12       3.6246      2.00000
     13       3.6536      2.00000
     14       3.6598      2.00000
     15       3.7708      2.00000
     16       3.8619      2.00000
     17       3.9758      2.00001
     18       3.9977      2.00001
     19       4.0856      2.00021
     20       4.2425      2.00807
     21       5.7039     -0.00000
     22       5.9075     -0.00000
     23       5.9156     -0.00000
     24       6.0739     -0.00000
     25       6.0897     -0.00000
     26       6.2686     -0.00000
     27       7.0791     -0.00000
     28       7.2451     -0.00000
     29       7.6874     -0.00000
     30       7.7996     -0.00000
     31       8.0674     -0.00000
     32       8.1677     -0.00000
     33       8.5189     -0.00000
     34       8.5463     -0.00000
     35       9.2283     -0.00000
     36       9.2786     -0.00000
     37       9.3692     -0.00000
     38       9.4410     -0.00000
     39      10.0112     -0.00000
     40      10.1804      0.00000
     41      10.8992      0.00000
     42      11.0806      0.00000
     43      11.5826      0.00000
     44      11.7917      0.00000

 k-point     9 :       0.0000    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.3879      2.00000
      2       1.4852      2.00000
      3       2.3669      2.00000
      4       2.4278      2.00000
      5       2.4608      2.00000
      6       2.5096      2.00000
      7       2.6324      2.00000
      8       2.9318      2.00000
      9       3.2581      2.00000
     10       3.3438      2.00000
     11       3.5650      2.00000
     12       3.6556      2.00000
     13       3.6593      2.00000
     14       3.6954      2.00000
     15       3.8095      2.00000
     16       3.8198      2.00000
     17       3.9555      2.00000
     18       3.9984      2.00002
     19       4.0491      2.00007
     20       4.2401      2.00771
     21       6.2134     -0.00000
     22       6.2424     -0.00000
     23       6.4019     -0.00000
     24       6.4750     -0.00000
     25       6.5090     -0.00000
     26       6.7414     -0.00000
     27       6.9592     -0.00000
     28       7.2361     -0.00000
     29       7.3020     -0.00000
     30       7.5943     -0.00000
     31       7.9459     -0.00000
     32       8.2062     -0.00000
     33       8.5578     -0.00000
     34       8.7464     -0.00000
     35       8.8781     -0.00000
     36       9.4155     -0.00000
     37       9.4594     -0.00000
     38       9.5401     -0.00000
     39       9.7112     -0.00000
     40       9.9996     -0.00000
     41      10.3754      0.00000
     42      10.4799      0.00000
     43      11.2279      0.00000
     44      11.4083      0.00000

 k-point    10 :       0.1429    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.4053      2.00000
      2       1.5029      2.00000
      3       2.1022      2.00000
      4       2.2043      2.00000
      5       2.6131      2.00000
      6       2.7454      2.00000
      7       2.8625      2.00000
      8       2.9638      2.00000
      9       3.2764      2.00000
     10       3.3614      2.00000
     11       3.3723      2.00000
     12       3.6525      2.00000
     13       3.7013      2.00000
     14       3.7100      2.00000
     15       3.7247      2.00000
     16       3.8294      2.00000
     17       3.9080      2.00000
     18       4.0606      2.00010
     19       4.1284      2.00065
     20       4.2712      2.01344
     21       6.0486     -0.00000
     22       6.2341     -0.00000
     23       6.2517     -0.00000
     24       6.4380     -0.00000
     25       6.5423     -0.00000
     26       6.6797     -0.00000
     27       6.8808     -0.00000
     28       7.2221     -0.00000
     29       7.3228     -0.00000
     30       7.5556     -0.00000
     31       7.9739     -0.00000
     32       8.3388     -0.00000
     33       8.5473     -0.00000
     34       8.8691     -0.00000
     35       8.9325     -0.00000
     36       9.3753     -0.00000
     37       9.4257     -0.00000
     38       9.6444     -0.00000
     39       9.6625     -0.00000
     40       9.9526     -0.00000
     41      10.4412      0.00000
     42      10.5521      0.00000
     43      11.2485      0.00000
     44      11.4576      0.00000

 k-point    11 :       0.2857    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.4583      2.00000
      2       1.5571      2.00000
      3       1.8667      2.00000
      4       1.9697      2.00000
      5       2.6840      2.00000
      6       3.0014      2.00000
      7       3.1442      2.00000
      8       3.1862      2.00000
      9       3.2304      2.00000
     10       3.3504      2.00000
     11       3.4126      2.00000
     12       3.4953      2.00000
     13       3.5924      2.00000
     14       3.6696      2.00000
     15       3.7599      2.00000
     16       3.8277      2.00000
     17       3.9578      2.00000
     18       4.1113      2.00042
     19       4.1236      2.00058
     20       4.3023      2.02199
     21       5.8248     -0.00000
     22       5.9603     -0.00000
     23       6.1870     -0.00000
     24       6.3443     -0.00000
     25       6.3741     -0.00000
     26       6.6476     -0.00000
     27       6.7322     -0.00000
     28       7.0724     -0.00000
     29       7.6011     -0.00000
     30       7.7430     -0.00000
     31       8.0753     -0.00000
     32       8.4245     -0.00000
     33       8.4602     -0.00000
     34       8.8584     -0.00000
     35       8.9730     -0.00000
     36       9.2585     -0.00000
     37       9.3585     -0.00000
     38       9.6686     -0.00000
     39       9.6835     -0.00000
     40       9.9543     -0.00000
     41      10.6768      0.00000
     42      10.8458      0.00000
     43      11.2526      0.00000
     44      11.4969      0.00000

 k-point    12 :       0.4286    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.5499      2.00000
      2       1.6503      2.00000
      3       1.6843      2.00000
      4       1.7863      2.00000
      5       2.7964      2.00000
      6       2.9509      2.00000
      7       3.1324      2.00000
      8       3.2953      2.00000
      9       3.3886      2.00000
     10       3.4671      2.00000
     11       3.4965      2.00000
     12       3.5775      2.00000
     13       3.6289      2.00000
     14       3.6512      2.00000
     15       3.8292      2.00000
     16       3.9039      2.00000
     17       3.9071      2.00000
     18       3.9995      2.00002
     19       4.0566      2.00009
     20       4.1305      2.00069
     21       5.8002     -0.00000
     22       5.8684     -0.00000
     23       5.9858     -0.00000
     24       6.0586     -0.00000
     25       6.4123     -0.00000
     26       6.5715     -0.00000
     27       6.7689     -0.00000
     28       6.9241     -0.00000
     29       7.9193     -0.00000
     30       8.0643     -0.00000
     31       8.1605     -0.00000
     32       8.3768     -0.00000
     33       8.3931     -0.00000
     34       8.6943     -0.00000
     35       8.8117     -0.00000
     36       9.0144     -0.00000
     37       9.4238     -0.00000
     38       9.6507     -0.00000
     39       9.7158     -0.00000
     40       9.9398     -0.00000
     41      10.9839      0.00000
     42      11.1778      0.00000
     43      11.2215      0.00000
     44      11.4276      0.00000

 k-point    13 :       0.0000    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.3316      2.00000
      2       1.8441      2.00000
      3       2.0705      2.00000
      4       2.3170      2.00000
      5       2.3662      2.00000
      6       2.7452      2.00000
      7       2.8276      2.00000
      8       2.9177      2.00000
      9       3.0471      2.00000
     10       3.1469      2.00000
     11       3.3097      2.00000
     12       3.4894      2.00000
     13       3.5299      2.00000
     14       3.5669      2.00000
     15       3.6734      2.00000
     16       3.9601      2.00000
     17       4.0892      2.00023
     18       4.2176      2.00497
     19       4.2590      2.01090
     20       4.3904      2.05907
     21       6.0361     -0.00000
     22       6.2435     -0.00000
     23       6.5186     -0.00000
     24       6.7796     -0.00000
     25       6.7932     -0.00000
     26       6.8967     -0.00000
     27       6.9022     -0.00000
     28       7.0810     -0.00000
     29       7.4914     -0.00000
     30       7.6326     -0.00000
     31       7.6838     -0.00000
     32       7.7452     -0.00000
     33       8.5423     -0.00000
     34       8.8114     -0.00000
     35       9.3329     -0.00000
     36       9.4330     -0.00000
     37       9.4571     -0.00000
     38       9.9451     -0.00000
     39      10.2406      0.00000
     40      10.2539      0.00000
     41      10.4361      0.00000
     42      10.4548      0.00000
     43      10.7990      0.00000
     44      10.8711      0.00000

 k-point    14 :       0.1429    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.3487      2.00000
      2       1.8631      2.00000
      3       2.0434      2.00000
      4       2.0901      2.00000
      5       2.5743      2.00000
      6       2.7031      2.00000
      7       2.7804      2.00000
      8       2.8189      2.00000
      9       3.1895      2.00000
     10       3.3244      2.00000
     11       3.3768      2.00000
     12       3.4221      2.00000
     13       3.5099      2.00000
     14       3.5987      2.00000
     15       3.8059      2.00000
     16       3.8628      2.00000
     17       4.1010      2.00032
     18       4.1713      2.00183
     19       4.2982      2.02070
     20       4.3789      2.05405
     21       5.9834     -0.00000
     22       6.0872     -0.00000
     23       6.4391     -0.00000
     24       6.6619     -0.00000
     25       6.7104     -0.00000
     26       6.7812     -0.00000
     27       7.0172     -0.00000
     28       7.0934     -0.00000
     29       7.4930     -0.00000
     30       7.5705     -0.00000
     31       7.6354     -0.00000
     32       7.7766     -0.00000
     33       8.6978     -0.00000
     34       8.9011     -0.00000
     35       9.3188     -0.00000
     36       9.4133     -0.00000
     37       9.4488     -0.00000
     38       9.9734     -0.00000
     39      10.2414      0.00000
     40      10.2965      0.00000
     41      10.3454      0.00000
     42      10.5552      0.00000
     43      11.0592      0.00000
     44      11.1227      0.00000

 k-point    15 :       0.2857    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.4011      2.00000
      2       1.8069      2.00000
      3       1.9207      2.00000
      4       2.1492      2.00000
      5       2.3447      2.00000
      6       2.5806      2.00000
      7       2.8405      2.00000
      8       3.1218      2.00000
      9       3.2116      2.00000
     10       3.3684      2.00000
     11       3.5151      2.00000
     12       3.5622      2.00000
     13       3.6630      2.00000
     14       3.6975      2.00000
     15       3.7583      2.00000
     16       3.9605      2.00000
     17       4.0170      2.00003
     18       4.1293      2.00066
     19       4.2364      2.00720
     20       4.3408      2.03669
     21       5.7443     -0.00000
     22       6.0403     -0.00000
     23       6.2950     -0.00000
     24       6.2963     -0.00000
     25       6.4323     -0.00000
     26       6.6112     -0.00000
     27       7.0285     -0.00000
     28       7.3499     -0.00000
     29       7.3684     -0.00000
     30       7.5082     -0.00000
     31       7.6708     -0.00000
     32       8.0353     -0.00000
     33       8.7320     -0.00000
     34       8.8069     -0.00000
     35       9.3378     -0.00000
     36       9.4438     -0.00000
     37       9.4741     -0.00000
     38       9.8828     -0.00000
     39      10.3020      0.00000
     40      10.4865      0.00000
     41      10.5759      0.00000
     42      10.7726      0.00000
     43      11.3966      0.00000
     44      11.5535      0.00000

 k-point    16 :       0.4286    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.4916      2.00000
      2       1.6250      2.00000
      3       2.0183      2.00000
      4       2.1580      2.00000
      5       2.2509      2.00000
      6       2.3932      2.00000
      7       2.9314      2.00000
      8       3.0567      2.00000
      9       3.4310      2.00000
     10       3.5244      2.00000
     11       3.5905      2.00000
     12       3.7126      2.00000
     13       3.7743      2.00000
     14       3.8514      2.00000
     15       3.8517      2.00000
     16       3.8616      2.00000
     17       4.0381      2.00005
     18       4.0835      2.00020
     19       4.1107      2.00041
     20       4.1440      2.00096
     21       5.7141     -0.00000
     22       5.9350     -0.00000
     23       6.0400     -0.00000
     24       6.1023     -0.00000
     25       6.2801     -0.00000
     26       6.4879     -0.00000
     27       7.0516     -0.00000
     28       7.1768     -0.00000
     29       7.4965     -0.00000
     30       7.5470     -0.00000
     31       7.9623     -0.00000
     32       8.3087     -0.00000
     33       8.3959     -0.00000
     34       8.5627     -0.00000
     35       9.4626     -0.00000
     36       9.5473     -0.00000
     37       9.5668     -0.00000
     38       9.7531     -0.00000
     39      10.3015      0.00000
     40      10.4867      0.00000
     41      10.8334      0.00000
     42      10.9345      0.00000
     43      11.6529      0.00000
     44      11.7545      0.00000

 k-point    17 :       0.0000    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.3627      2.00000
      2       1.6637      2.00000
      3       2.3390      2.00000
      4       2.3464      2.00000
      5       2.4009      2.00000
      6       2.6304      2.00000
      7       2.7378      2.00000
      8       2.8142      2.00000
      9       3.1512      2.00000
     10       3.2914      2.00000
     11       3.2944      2.00000
     12       3.3953      2.00000
     13       3.5766      2.00000
     14       3.7207      2.00000
     15       3.7392      2.00000
     16       3.8771      2.00000
     17       4.0742      2.00015
     18       4.0932      2.00026
     19       4.1503      2.00112
     20       4.2631      2.01170
     21       6.1279     -0.00000
     22       6.3460     -0.00000
     23       6.3495     -0.00000
     24       6.6375     -0.00000
     25       6.8135     -0.00000
     26       6.9206     -0.00000
     27       6.9676     -0.00000
     28       7.1208     -0.00000
     29       7.7103     -0.00000
     30       7.7294     -0.00000
     31       7.7869     -0.00000
     32       7.9969     -0.00000
     33       8.5727     -0.00000
     34       8.6573     -0.00000
     35       9.1102     -0.00000
     36       9.3362     -0.00000
     37       9.6047     -0.00000
     38       9.8068     -0.00000
     39      10.0138     -0.00000
     40      10.1262     -0.00000
     41      10.2509      0.00000
     42      10.7875      0.00000
     43      10.7886      0.00000
     44      11.3458      0.00000

 k-point    18 :       0.1429    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.3800      2.00000
      2       1.6820      2.00000
      3       2.0762      2.00000
      4       2.3512      2.00000
      5       2.4015      2.00000
      6       2.7323      2.00000
      7       2.8235      2.00000
      8       3.0313      2.00000
      9       3.0847      2.00000
     10       3.1689      2.00000
     11       3.3215      2.00000
     12       3.4339      2.00000
     13       3.6217      2.00000
     14       3.7083      2.00000
     15       3.8101      2.00000
     16       3.8647      2.00000
     17       4.0069      2.00002
     18       4.0897      2.00023
     19       4.1881      2.00267
     20       4.3198      2.02813
     21       6.0260     -0.00000
     22       6.2565     -0.00000
     23       6.2893     -0.00000
     24       6.5321     -0.00000
     25       6.6220     -0.00000
     26       6.9104     -0.00000
     27       6.9538     -0.00000
     28       7.2256     -0.00000
     29       7.5740     -0.00000
     30       7.7202     -0.00000
     31       7.8259     -0.00000
     32       7.9863     -0.00000
     33       8.7212     -0.00000
     34       8.7454     -0.00000
     35       9.2045     -0.00000
     36       9.3097     -0.00000
     37       9.5805     -0.00000
     38       9.7958     -0.00000
     39      10.0103     -0.00000
     40      10.1257     -0.00000
     41      10.3326      0.00000
     42      10.8631      0.00000
     43      10.9633      0.00000
     44      11.3737      0.00000

 k-point    19 :       0.2857    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.4327      2.00000
      2       1.7378      2.00000
      3       1.8399      2.00000
      4       2.1556      2.00000
      5       2.4250      2.00000
      6       2.8545      2.00000
      7       2.8853      2.00000
      8       3.1396      2.00000
      9       3.2224      2.00000
     10       3.2586      2.00000
     11       3.3974      2.00000
     12       3.4028      2.00000
     13       3.5837      2.00000
     14       3.8198      2.00000
     15       3.8320      2.00000
     16       3.8618      2.00000
     17       4.0085      2.00002
     18       4.1295      2.00067
     19       4.1652      2.00159
     20       4.3344      2.03397
     21       5.7730     -0.00000
     22       6.1447     -0.00000
     23       6.2202     -0.00000
     24       6.2453     -0.00000
     25       6.3311     -0.00000
     26       6.8306     -0.00000
     27       6.8514     -0.00000
     28       7.3261     -0.00000
     29       7.4980     -0.00000
     30       7.7558     -0.00000
     31       7.9809     -0.00000
     32       8.0236     -0.00000
     33       8.7013     -0.00000
     34       8.8247     -0.00000
     35       9.2406     -0.00000
     36       9.2985     -0.00000
     37       9.6496     -0.00000
     38       9.6888     -0.00000
     39      10.0359     -0.00000
     40      10.3864      0.00000
     41      10.5348      0.00000
     42      10.9937      0.00000
     43      11.1970      0.00000
     44      11.5524      0.00000

 k-point    20 :       0.4286    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.5237      2.00000
      2       1.6576      2.00000
      3       1.8331      2.00000
      4       1.9713      2.00000
      5       2.5277      2.00000
      6       2.6723      2.00000
      7       2.9734      2.00000
      8       3.1031      2.00000
      9       3.3031      2.00000
     10       3.4145      2.00000
     11       3.5070      2.00000
     12       3.6323      2.00000
     13       3.6669      2.00000
     14       3.7305      2.00000
     15       3.8973      2.00000
     16       3.9260      2.00000
     17       4.0241      2.00003
     18       4.0977      2.00029
     19       4.1470      2.00103
     20       4.1610      2.00144
     21       5.6944     -0.00000
     22       5.9809     -0.00000
     23       5.9933     -0.00000
     24       6.0701     -0.00000
     25       6.3308     -0.00000
     26       6.6750     -0.00000
     27       6.9075     -0.00000
     28       7.0836     -0.00000
     29       7.6526     -0.00000
     30       7.8112     -0.00000
     31       8.1578     -0.00000
     32       8.2614     -0.00000
     33       8.5319     -0.00000
     34       8.5413     -0.00000
     35       9.3491     -0.00000
     36       9.4100     -0.00000
     37       9.5636     -0.00000
     38       9.7152     -0.00000
     39      10.0071     -0.00000
     40      10.4644      0.00000
     41      10.7922      0.00000
     42      10.9887      0.00000
     43      11.5503      0.00000
     44      11.6539      0.00000

 k-point    21 :       0.0000    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.4265      2.00000
      2       1.5256      2.00000
      3       2.4068      2.00000
      4       2.4702      2.00000
      5       2.5011      2.00000
      6       2.5574      2.00000
      7       2.6837      2.00000
      8       2.8900      2.00000
      9       2.9924      2.00000
     10       3.0048      2.00000
     11       3.5411      2.00000
     12       3.6570      2.00000
     13       3.6851      2.00000
     14       3.7077      2.00000
     15       3.8516      2.00000
     16       3.8705      2.00000
     17       3.8973      2.00000
     18       3.9912      2.00001
     19       4.0314      2.00004
     20       4.0615      2.00010
     21       6.2628     -0.00000
     22       6.3854     -0.00000
     23       6.3941     -0.00000
     24       6.5062     -0.00000
     25       6.6538     -0.00000
     26       6.6702     -0.00000
     27       7.2763     -0.00000
     28       7.4560     -0.00000
     29       7.5651     -0.00000
     30       7.7156     -0.00000
     31       8.0691     -0.00000
     32       8.3952     -0.00000
     33       8.4724     -0.00000
     34       8.7412     -0.00000
     35       8.8153     -0.00000
     36       9.4212     -0.00000
     37       9.5008     -0.00000
     38       9.5965     -0.00000
     39       9.7901     -0.00000
     40       9.9504     -0.00000
     41      10.3353      0.00000
     42      10.4743      0.00000
     43      11.1985      0.00000
     44      11.3921      0.00000

 k-point    22 :       0.1429    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.4440      2.00000
      2       1.5435      2.00000
      3       2.1431      2.00000
      4       2.2462      2.00000
      5       2.6684      2.00000
      6       2.7867      2.00000
      7       2.8815      2.00000
      8       2.9324      2.00000
      9       3.0106      2.00000
     10       3.0364      2.00000
     11       3.3774      2.00000
     12       3.5314      2.00000
     13       3.6056      2.00000
     14       3.7314      2.00000
     15       3.8286      2.00000
     16       3.9145      2.00000
     17       3.9677      2.00001
     18       4.0362      2.00005
     19       4.0717      2.00014
     20       4.1828      2.00237
     21       6.1877     -0.00000
     22       6.2699     -0.00000
     23       6.3336     -0.00000
     24       6.4432     -0.00000
     25       6.4469     -0.00000
     26       6.6611     -0.00000
     27       7.2372     -0.00000
     28       7.4786     -0.00000
     29       7.5203     -0.00000
     30       7.7462     -0.00000
     31       8.0517     -0.00000
     32       8.4040     -0.00000
     33       8.5068     -0.00000
     34       8.8850     -0.00000
     35       8.9519     -0.00000
     36       9.3902     -0.00000
     37       9.4783     -0.00000
     38       9.5937     -0.00000
     39       9.7925     -0.00000
     40       9.9786     -0.00000
     41      10.4186      0.00000
     42      10.5929      0.00000
     43      11.2072      0.00000
     44      11.4168      0.00000

 k-point    23 :       0.2857    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.4974      2.00000
      2       1.5979      2.00000
      3       1.9072      2.00000
      4       2.0114      2.00000
      5       2.7365      2.00000
      6       2.9610      2.00000
      7       3.0508      2.00000
      8       3.0791      2.00000
      9       3.1710      2.00000
     10       3.2358      2.00000
     11       3.2966      2.00000
     12       3.3526      2.00000
     13       3.4392      2.00000
     14       3.5418      2.00000
     15       3.9550      2.00000
     16       3.9606      2.00000
     17       4.0472      2.00007
     18       4.0894      2.00023
     19       4.1654      2.00160
     20       4.2604      2.01116
     21       5.9149     -0.00000
     22       6.0942     -0.00000
     23       6.1112     -0.00000
     24       6.1816     -0.00000
     25       6.4299     -0.00000
     26       6.6309     -0.00000
     27       7.0596     -0.00000
     28       7.2363     -0.00000
     29       7.7233     -0.00000
     30       7.9215     -0.00000
     31       8.1185     -0.00000
     32       8.4569     -0.00000
     33       8.4658     -0.00000
     34       8.8980     -0.00000
     35       9.0591     -0.00000
     36       9.3546     -0.00000
     37       9.4145     -0.00000
     38       9.6106     -0.00000
     39       9.8985     -0.00000
     40      10.1652      0.00000
     41      10.6213      0.00000
     42      10.8512      0.00000
     43      11.1954      0.00000
     44      11.4595      0.00000

 k-point    24 :       0.4286    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.5894      2.00000
      2       1.6913      2.00000
      3       1.7243      2.00000
      4       1.8277      2.00000
      5       2.8432      2.00000
      6       2.9865      2.00000
      7       3.0580      2.00000
      8       3.1506      2.00000
      9       3.1908      2.00000
     10       3.1954      2.00000
     11       3.2880      2.00000
     12       3.3686      2.00000
     13       3.6487      2.00000
     14       3.6853      2.00000
     15       3.9462      2.00000
     16       3.9753      2.00001
     17       4.0511      2.00008
     18       4.0930      2.00026
     19       4.1619      2.00147
     20       4.1765      2.00206
     21       5.7803     -0.00000
     22       5.9112     -0.00000
     23       5.9576     -0.00000
     24       5.9924     -0.00000
     25       6.5353     -0.00000
     26       6.7273     -0.00000
     27       6.8264     -0.00000
     28       6.9537     -0.00000
     29       7.8997     -0.00000
     30       8.1239     -0.00000
     31       8.1478     -0.00000
     32       8.4062     -0.00000
     33       8.5476     -0.00000
     34       8.8334     -0.00000
     35       8.9911     -0.00000
     36       9.2253     -0.00000
     37       9.4576     -0.00000
     38       9.6666     -0.00000
     39       9.9395     -0.00000
     40      10.2315      0.00000
     41      10.8939      0.00000
     42      11.0980      0.00000
     43      11.1764      0.00000
     44      11.3880      0.00000

 k-point    25 :       0.0000    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.4059      2.00000
      2       1.9355      2.00000
      3       2.1680      2.00000
      4       2.3943      2.00000
      5       2.4195      2.00000
      6       2.4465      2.00000
      7       2.8839      2.00000
      8       3.0003      2.00000
      9       3.0385      2.00000
     10       3.0894      2.00000
     11       3.2133      2.00000
     12       3.3028      2.00000
     13       3.3855      2.00000
     14       3.4267      2.00000
     15       3.6222      2.00000
     16       3.8277      2.00000
     17       3.9646      2.00000
     18       4.0359      2.00005
     19       4.1108      2.00041
     20       4.4574      2.06715
     21       6.3834     -0.00000
     22       6.4876     -0.00000
     23       6.5532     -0.00000
     24       6.9408     -0.00000
     25       7.1978     -0.00000
     26       7.3235     -0.00000
     27       7.3470     -0.00000
     28       7.3895     -0.00000
     29       7.5981     -0.00000
     30       7.6721     -0.00000
     31       7.6964     -0.00000
     32       7.7070     -0.00000
     33       8.5285     -0.00000
     34       8.9484     -0.00000
     35       8.9729     -0.00000
     36       9.5251     -0.00000
     37       9.6421     -0.00000
     38       9.9796     -0.00000
     39      10.0712     -0.00000
     40      10.1332     -0.00000
     41      10.2727      0.00000
     42      10.4619      0.00000
     43      10.6095      0.00000
     44      10.7374      0.00000

 k-point    26 :       0.1429    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.4233      2.00000
      2       1.9543      2.00000
      3       2.1225      2.00000
      4       2.1870      2.00000
      5       2.4387      2.00000
      6       2.6597      2.00000
      7       2.7774      2.00000
      8       2.8815      2.00000
      9       3.0576      2.00000
     10       3.1375      2.00000
     11       3.2659      2.00000
     12       3.3225      2.00000
     13       3.4504      2.00000
     14       3.6255      2.00000
     15       3.6913      2.00000
     16       3.6937      2.00000
     17       3.9442      2.00000
     18       4.1172      2.00049
     19       4.1350      2.00077
     20       4.4597      2.06617
     21       6.2595     -0.00000
     22       6.4105     -0.00000
     23       6.4271     -0.00000
     24       6.8332     -0.00000
     25       6.9702     -0.00000
     26       7.2455     -0.00000
     27       7.2893     -0.00000
     28       7.4147     -0.00000
     29       7.5181     -0.00000
     30       7.6002     -0.00000
     31       7.7143     -0.00000
     32       7.8895     -0.00000
     33       8.6750     -0.00000
     34       8.9211     -0.00000
     35       9.1157     -0.00000
     36       9.4359     -0.00000
     37       9.6263     -0.00000
     38       9.8693     -0.00000
     39      10.1645      0.00000
     40      10.2122      0.00000
     41      10.4137      0.00000
     42      10.6302      0.00000
     43      10.8180      0.00000
     44      10.9753      0.00000

 k-point    27 :       0.2857    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.4762      2.00000
      2       1.8853      2.00000
      3       2.0113      2.00000
      4       2.2443      2.00000
      5       2.4294      2.00000
      6       2.4988      2.00000
      7       2.6610      2.00000
      8       2.9176      2.00000
      9       3.0901      2.00000
     10       3.2037      2.00000
     11       3.3716      2.00000
     12       3.4907      2.00000
     13       3.5821      2.00000
     14       3.7201      2.00000
     15       3.7300      2.00000
     16       3.8061      2.00000
     17       3.9743      2.00001
     18       4.0787      2.00017
     19       4.2348      2.00698
     20       4.4500      2.06943
     21       5.9022     -0.00000
     22       6.2696     -0.00000
     23       6.2809     -0.00000
     24       6.5185     -0.00000
     25       6.7353     -0.00000
     26       7.0129     -0.00000
     27       7.1842     -0.00000
     28       7.1924     -0.00000
     29       7.5518     -0.00000
     30       7.6134     -0.00000
     31       7.8402     -0.00000
     32       8.1175     -0.00000
     33       8.6833     -0.00000
     34       8.7000     -0.00000
     35       9.4146     -0.00000
     36       9.4910     -0.00000
     37       9.7004     -0.00000
     38       9.8926     -0.00000
     39      10.2477      0.00000
     40      10.4538      0.00000
     41      10.6697      0.00000
     42      10.9126      0.00000
     43      11.1225      0.00000
     44      11.3758      0.00000

 k-point    28 :       0.4286    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.5678      2.00000
      2       1.7023      2.00000
      3       2.1081      2.00000
      4       2.2467      2.00000
      5       2.3416      2.00000
      6       2.4785      2.00000
      7       2.5981      2.00000
      8       2.7370      2.00000
      9       3.1812      2.00000
     10       3.2982      2.00000
     11       3.4965      2.00000
     12       3.5950      2.00000
     13       3.7010      2.00000
     14       3.8306      2.00000
     15       3.8487      2.00000
     16       3.8850      2.00000
     17       3.9731      2.00001
     18       4.0824      2.00019
     19       4.2169      2.00490
     20       4.3817      2.05532
     21       5.8056     -0.00000
     22       6.0340     -0.00000
     23       6.1264     -0.00000
     24       6.1971     -0.00000
     25       6.7939     -0.00000
     26       6.8671     -0.00000
     27       6.9331     -0.00000
     28       7.0751     -0.00000
     29       7.6001     -0.00000
     30       7.6411     -0.00000
     31       8.0708     -0.00000
     32       8.2799     -0.00000
     33       8.4202     -0.00000
     34       8.4598     -0.00000
     35       9.6771     -0.00000
     36       9.7448     -0.00000
     37       9.8000     -0.00000
     38       9.9331     -0.00000
     39      10.2970      0.00000
     40      10.6619      0.00000
     41      10.6833      0.00000
     42      10.8015      0.00000
     43      11.4984      0.00000
     44      11.6734      0.00000

 k-point    29 :       0.0000    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.4383      2.00000
      2       1.7497      2.00000
      3       2.4250      2.00000
      4       2.4432      2.00000
      5       2.4606      2.00000
      6       2.4822      2.00000
      7       2.7178      2.00000
      8       2.8217      2.00000
      9       2.8352      2.00000
     10       3.2756      2.00000
     11       3.4057      2.00000
     12       3.4195      2.00000
     13       3.4750      2.00000
     14       3.5235      2.00000
     15       3.5599      2.00000
     16       3.7160      2.00000
     17       3.8379      2.00000
     18       4.0178      2.00003
     19       4.0757      2.00016
     20       4.3569      2.04391
     21       6.3683     -0.00000
     22       6.4086     -0.00000
     23       6.6231     -0.00000
     24       6.6351     -0.00000
     25       7.1777     -0.00000
     26       7.1878     -0.00000
     27       7.3107     -0.00000
     28       7.6410     -0.00000
     29       7.6870     -0.00000
     30       7.8672     -0.00000
     31       7.9442     -0.00000
     32       7.9932     -0.00000
     33       8.5728     -0.00000
     34       8.7556     -0.00000
     35       8.9401     -0.00000
     36       9.4722     -0.00000
     37       9.7902     -0.00000
     38       9.7947     -0.00000
     39      10.0097     -0.00000
     40      10.0621     -0.00000
     41      10.2946      0.00000
     42      10.5535      0.00000
     43      10.6563      0.00000
     44      11.0215      0.00000

 k-point    30 :       0.1429    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.4558      2.00000
      2       1.7681      2.00000
      3       2.1563      2.00000
      4       2.4465      2.00000
      5       2.4834      2.00000
      6       2.4916      2.00000
      7       2.8061      2.00000
      8       2.8578      2.00000
      9       3.0915      2.00000
     10       3.1083      2.00000
     11       3.2369      2.00000
     12       3.4303      2.00000
     13       3.5213      2.00000
     14       3.6078      2.00000
     15       3.6130      2.00000
     16       3.7719      2.00000
     17       3.9238      2.00000
     18       4.0306      2.00004
     19       4.0899      2.00023
     20       4.3634      2.04693
     21       6.2354     -0.00000
     22       6.3141     -0.00000
     23       6.5011     -0.00000
     24       6.6429     -0.00000
     25       6.8494     -0.00000
     26       7.1095     -0.00000
     27       7.3234     -0.00000
     28       7.5719     -0.00000
     29       7.6607     -0.00000
     30       7.8916     -0.00000
     31       7.9799     -0.00000
     32       8.0287     -0.00000
     33       8.7629     -0.00000
     34       8.8231     -0.00000
     35       9.0060     -0.00000
     36       9.4278     -0.00000
     37       9.6882     -0.00000
     38       9.7731     -0.00000
     39      10.0655     -0.00000
     40      10.1755      0.00000
     41      10.3934      0.00000
     42      10.7496      0.00000
     43      10.8305      0.00000
     44      11.0907      0.00000

 k-point    31 :       0.2857    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.5091      2.00000
      2       1.8239      2.00000
      3       1.9193      2.00000
      4       2.2415      2.00000
      5       2.5093      2.00000
      6       2.5544      2.00000
      7       2.8922      2.00000
      8       2.9093      2.00000
      9       3.0060      2.00000
     10       3.2076      2.00000
     11       3.3098      2.00000
     12       3.4660      2.00000
     13       3.5236      2.00000
     14       3.6578      2.00000
     15       3.8276      2.00000
     16       3.8497      2.00000
     17       3.9729      2.00001
     18       4.0235      2.00003
     19       4.2032      2.00369
     20       4.3684      2.04925
     21       5.8794     -0.00000
     22       6.1728     -0.00000
     23       6.2952     -0.00000
     24       6.3846     -0.00000
     25       6.6676     -0.00000
     26       6.9122     -0.00000
     27       7.2733     -0.00000
     28       7.2993     -0.00000
     29       7.7224     -0.00000
     30       7.8617     -0.00000
     31       8.0958     -0.00000
     32       8.1526     -0.00000
     33       8.7017     -0.00000
     34       8.8453     -0.00000
     35       9.2344     -0.00000
     36       9.4909     -0.00000
     37       9.7469     -0.00000
     38       9.8836     -0.00000
     39      10.0994     -0.00000
     40      10.3562      0.00000
     41      10.6594      0.00000
     42      10.8811      0.00000
     43      11.1546      0.00000
     44      11.3240      0.00000

 k-point    32 :       0.4286    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.6010      2.00000
      2       1.7360      2.00000
      3       1.9193      2.00000
      4       2.0575      2.00000
      5       2.5955      2.00000
      6       2.6600      2.00000
      7       2.7267      2.00000
      8       2.8206      2.00000
      9       3.0020      2.00000
     10       3.1398      2.00000
     11       3.5636      2.00000
     12       3.6474      2.00000
     13       3.7202      2.00000
     14       3.7802      2.00000
     15       3.7819      2.00000
     16       3.8844      2.00000
     17       3.9231      2.00000
     18       4.1048      2.00035
     19       4.2107      2.00432
     20       4.3287      2.03162
     21       5.7402     -0.00000
     22       6.0329     -0.00000
     23       6.0432     -0.00000
     24       6.0771     -0.00000
     25       6.7325     -0.00000
     26       6.8505     -0.00000
     27       6.9848     -0.00000
     28       7.2319     -0.00000
     29       7.7544     -0.00000
     30       7.8754     -0.00000
     31       8.2210     -0.00000
     32       8.2910     -0.00000
     33       8.4882     -0.00000
     34       8.6754     -0.00000
     35       9.5528     -0.00000
     36       9.6556     -0.00000
     37       9.7952     -0.00000
     38       9.9946     -0.00000
     39      10.0626     -0.00000
     40      10.5553      0.00000
     41      10.7997      0.00000
     42      10.8446      0.00000
     43      11.2403      0.00000
     44      11.4620      0.00000

 k-point    33 :       0.0000    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.5045      2.00000
      2       1.6072      2.00000
      3       2.4874      2.00000
      4       2.5416      2.00000
      5       2.5535      2.00000
      6       2.5870      2.00000
      7       2.6488      2.00000
      8       2.6691      2.00000
      9       2.7868      2.00000
     10       3.1094      2.00000
     11       3.4143      2.00000
     12       3.5376      2.00000
     13       3.5437      2.00000
     14       3.6651      2.00000
     15       3.6812      2.00000
     16       3.7346      2.00000
     17       3.8225      2.00000
     18       3.9415      2.00000
     19       3.9437      2.00000
     20       4.1601      2.00141
     21       6.3198     -0.00000
     22       6.4076     -0.00000
     23       6.5726     -0.00000
     24       6.7778     -0.00000
     25       6.8526     -0.00000
     26       6.9855     -0.00000
     27       7.4668     -0.00000
     28       7.6106     -0.00000
     29       7.8785     -0.00000
     30       7.9745     -0.00000
     31       8.3552     -0.00000
     32       8.3920     -0.00000
     33       8.5393     -0.00000
     34       8.7547     -0.00000
     35       8.8834     -0.00000
     36       9.5074     -0.00000
     37       9.5461     -0.00000
     38       9.6451     -0.00000
     39       9.9174     -0.00000
     40      10.0295     -0.00000
     41      10.1623      0.00000
     42      10.3164      0.00000
     43      11.1243      0.00000
     44      11.3454      0.00000

 k-point    34 :       0.1429    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.5222      2.00000
      2       1.6252      2.00000
      3       2.2250      2.00000
      4       2.3301      2.00000
      5       2.5633      2.00000
      6       2.6880      2.00000
      7       2.7770      2.00000
      8       2.8680      2.00000
      9       2.9860      2.00000
     10       3.1349      2.00000
     11       3.2319      2.00000
     12       3.3692      2.00000
     13       3.4707      2.00000
     14       3.7234      2.00000
     15       3.7379      2.00000
     16       3.8468      2.00000
     17       3.9100      2.00000
     18       3.9306      2.00000
     19       4.0480      2.00007
     20       4.1752      2.00200
     21       6.2618     -0.00000
     22       6.3117     -0.00000
     23       6.3959     -0.00000
     24       6.6049     -0.00000
     25       6.7555     -0.00000
     26       6.9235     -0.00000
     27       7.4445     -0.00000
     28       7.5486     -0.00000
     29       7.8788     -0.00000
     30       8.0055     -0.00000
     31       8.2885     -0.00000
     32       8.4740     -0.00000
     33       8.5907     -0.00000
     34       8.8218     -0.00000
     35       9.0569     -0.00000
     36       9.4677     -0.00000
     37       9.5318     -0.00000
     38       9.6527     -0.00000
     39       9.9490     -0.00000
     40      10.1219     -0.00000
     41      10.2725      0.00000
     42      10.4824      0.00000
     43      11.1151      0.00000
     44      11.3091      0.00000

 k-point    35 :       0.2857    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.5761      2.00000
      2       1.6799      2.00000
      3       1.9886      2.00000
      4       2.0952      2.00000
      5       2.6191      2.00000
      6       2.7453      2.00000
      7       2.8422      2.00000
      8       3.0264      2.00000
      9       3.1213      2.00000
     10       3.1970      2.00000
     11       3.2689      2.00000
     12       3.3071      2.00000
     13       3.3679      2.00000
     14       3.5789      2.00000
     15       3.9220      2.00000
     16       3.9273      2.00000
     17       3.9935      2.00001
     18       4.0734      2.00015
     19       4.1578      2.00134
     20       4.2129      2.00452
     21       5.9617     -0.00000
     22       6.0966     -0.00000
     23       6.1869     -0.00000
     24       6.1897     -0.00000
     25       6.7468     -0.00000
     26       6.8279     -0.00000
     27       7.3219     -0.00000
     28       7.3269     -0.00000
     29       7.9452     -0.00000
     30       8.1141     -0.00000
     31       8.2711     -0.00000
     32       8.5068     -0.00000
     33       8.5802     -0.00000
     34       8.9218     -0.00000
     35       9.1676     -0.00000
     36       9.5475     -0.00000
     37       9.5529     -0.00000
     38       9.7331     -0.00000
     39      10.1304     -0.00000
     40      10.3618      0.00000
     41      10.4376      0.00000
     42      10.7566      0.00000
     43      11.0739      0.00000
     44      11.3570      0.00000

 k-point    36 :       0.4286    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.6689      2.00000
      2       1.7739      2.00000
      3       1.8048      2.00000
      4       1.9110      2.00000
      5       2.7124      2.00000
      6       2.8398      2.00000
      7       2.8409      2.00000
      8       2.9598      2.00000
      9       2.9770      2.00000
     10       3.0994      2.00000
     11       3.2901      2.00000
     12       3.4265      2.00000
     13       3.6875      2.00000
     14       3.7315      2.00000
     15       3.9442      2.00000
     16       3.9528      2.00000
     17       3.9931      2.00001
     18       4.1496      2.00110
     19       4.1559      2.00128
     20       4.2317      2.00657
     21       5.7602     -0.00000
     22       5.8880     -0.00000
     23       5.9705     -0.00000
     24       5.9834     -0.00000
     25       6.7829     -0.00000
     26       6.8323     -0.00000
     27       7.0742     -0.00000
     28       7.1864     -0.00000
     29       8.0136     -0.00000
     30       8.2111     -0.00000
     31       8.2202     -0.00000
     32       8.4283     -0.00000
     33       8.6470     -0.00000
     34       9.0360     -0.00000
     35       9.1840     -0.00000
     36       9.4385     -0.00000
     37       9.7142     -0.00000
     38       9.8400     -0.00000
     39      10.2242      0.00000
     40      10.4901      0.00000
     41      10.6745      0.00000
     42      10.9491      0.00000
     43      11.0458      0.00000
     44      11.2694      0.00000

 k-point    37 :       0.0000    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.5195      2.00000
      2       2.0726      2.00000
      3       2.1225      2.00000
      4       2.3125      2.00000
      5       2.5073      2.00000
      6       2.5630      2.00000
      7       2.7569      2.00000
      8       2.9727      2.00000
      9       3.0197      2.00000
     10       3.0900      2.00000
     11       3.1076      2.00000
     12       3.1535      2.00000
     13       3.3261      2.00000
     14       3.3408      2.00000
     15       3.6341      2.00000
     16       3.6519      2.00000
     17       3.8218      2.00000
     18       3.8395      2.00000
     19       3.8905      2.00000
     20       4.5720      1.79114
     21       6.4185     -0.00000
     22       6.7665     -0.00000
     23       6.8149     -0.00000
     24       7.3827     -0.00000
     25       7.4936     -0.00000
     26       7.5516     -0.00000
     27       7.5594     -0.00000
     28       7.6367     -0.00000
     29       7.7554     -0.00000
     30       7.8651     -0.00000
     31       7.9040     -0.00000
     32       8.2172     -0.00000
     33       8.4918     -0.00000
     34       8.5532     -0.00000
     35       8.9609     -0.00000
     36       9.6019     -0.00000
     37       9.7424     -0.00000
     38       9.7757     -0.00000
     39       9.8672     -0.00000
     40       9.9174     -0.00000
     41      10.0681     -0.00000
     42      10.1263     -0.00000
     43      10.4009      0.00000
     44      11.0742      0.00000

 k-point    38 :       0.1429    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.5372      2.00000
      2       2.0899      2.00000
      3       2.1422      2.00000
      4       2.2411      2.00000
      5       2.3319      2.00000
      6       2.7593      2.00000
      7       2.7655      2.00000
      8       2.8548      2.00000
      9       2.8938      2.00000
     10       3.0428      2.00000
     11       3.0472      2.00000
     12       3.3551      2.00000
     13       3.4192      2.00000
     14       3.4447      2.00000
     15       3.6236      2.00000
     16       3.6584      2.00000
     17       3.8155      2.00000
     18       3.9463      2.00000
     19       3.9984      2.00002
     20       4.5722      1.78985
     21       6.3556     -0.00000
     22       6.4787     -0.00000
     23       6.6997     -0.00000
     24       7.1151     -0.00000
     25       7.2140     -0.00000
     26       7.4535     -0.00000
     27       7.5822     -0.00000
     28       7.5926     -0.00000
     29       7.7304     -0.00000
     30       7.9501     -0.00000
     31       7.9535     -0.00000
     32       8.1866     -0.00000
     33       8.6748     -0.00000
     34       8.8153     -0.00000
     35       9.0158     -0.00000
     36       9.4503     -0.00000
     37       9.5809     -0.00000
     38       9.8012     -0.00000
     39       9.9418     -0.00000
     40      10.0900     -0.00000
     41      10.2930      0.00000
     42      10.3067      0.00000
     43      10.6686      0.00000
     44      11.0236      0.00000

 k-point    39 :       0.2857    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.5910      2.00000
      2       2.0039      2.00000
      3       2.1430      2.00000
      4       2.2010      2.00000
      5       2.3896      2.00000
      6       2.5465      2.00000
      7       2.6278      2.00000
      8       2.8188      2.00000
      9       2.8192      2.00000
     10       3.0746      2.00000
     11       3.2094      2.00000
     12       3.3153      2.00000
     13       3.5020      2.00000
     14       3.6533      2.00000
     15       3.7301      2.00000
     16       3.8872      2.00000
     17       3.9386      2.00000
     18       4.0289      2.00004
     19       4.1523      2.00117
     20       4.5523      1.88013
     21       6.0350     -0.00000
     22       6.2018     -0.00000
     23       6.3950     -0.00000
     24       6.5956     -0.00000
     25       7.1324     -0.00000
     26       7.1419     -0.00000
     27       7.2106     -0.00000
     28       7.5476     -0.00000
     29       7.8111     -0.00000
     30       8.0298     -0.00000
     31       8.0963     -0.00000
     32       8.2352     -0.00000
     33       8.5990     -0.00000
     34       8.7958     -0.00000
     35       9.4440     -0.00000
     36       9.5429     -0.00000
     37       9.7422     -0.00000
     38       9.8130     -0.00000
     39      10.0101     -0.00000
     40      10.3865      0.00000
     41      10.6422      0.00000
     42      10.6677      0.00000
     43      10.8283      0.00000
     44      11.1817      0.00000

 k-point    40 :       0.4286    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.6837      2.00000
      2       1.8197      2.00000
      3       2.2338      2.00000
      4       2.2975      2.00000
      5       2.3677      2.00000
      6       2.4408      2.00000
      7       2.4968      2.00000
      8       2.6364      2.00000
      9       2.9086      2.00000
     10       3.0367      2.00000
     11       3.1889      2.00000
     12       3.3168      2.00000
     13       3.7414      2.00000
     14       3.8765      2.00000
     15       3.9092      2.00000
     16       3.9399      2.00000
     17       4.0390      2.00005
     18       4.1204      2.00053
     19       4.2383      2.00746
     20       4.4555      2.06784
     21       5.8556     -0.00000
     22       6.0574     -0.00000
     23       6.0892     -0.00000
     24       6.2123     -0.00000
     25       6.9409     -0.00000
     26       6.9700     -0.00000
     27       7.1719     -0.00000
     28       7.4406     -0.00000
     29       7.8600     -0.00000
     30       7.9670     -0.00000
     31       8.2141     -0.00000
     32       8.3700     -0.00000
     33       8.3736     -0.00000
     34       8.6956     -0.00000
     35       9.6721     -0.00000
     36       9.8106     -0.00000
     37       9.8240     -0.00000
     38       9.9784     -0.00000
     39      10.1180     -0.00000
     40      10.5685      0.00000
     41      10.6082      0.00000
     42      10.8160      0.00000
     43      11.2432      0.00000
     44      11.5486      0.00000

 k-point    41 :       0.0000    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.5537      2.00000
      2       1.8796      2.00000
      3       2.1629      2.00000
      4       2.5177      2.00000
      5       2.5640      2.00000
      6       2.5951      2.00000
      7       2.6003      2.00000
      8       2.8355      2.00000
      9       2.9442      2.00000
     10       3.1389      2.00000
     11       3.1880      2.00000
     12       3.3172      2.00000
     13       3.4723      2.00000
     14       3.5014      2.00000
     15       3.5075      2.00000
     16       3.5526      2.00000
     17       3.6875      2.00000
     18       3.8882      2.00000
     19       3.9043      2.00000
     20       4.3707      2.05029
     21       6.4344     -0.00000
     22       6.6817     -0.00000
     23       6.8047     -0.00000
     24       7.1120     -0.00000
     25       7.2976     -0.00000
     26       7.4230     -0.00000
     27       7.7095     -0.00000
     28       7.8568     -0.00000
     29       7.8859     -0.00000
     30       7.9265     -0.00000
     31       7.9942     -0.00000
     32       8.4553     -0.00000
     33       8.5438     -0.00000
     34       8.5529     -0.00000
     35       9.1666     -0.00000
     36       9.4465     -0.00000
     37       9.6873     -0.00000
     38       9.7980     -0.00000
     39       9.8603     -0.00000
     40      10.0009     -0.00000
     41      10.2854      0.00000
     42      10.4494      0.00000
     43      10.4599      0.00000
     44      11.1462      0.00000

 k-point    42 :       0.1429    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.5714      2.00000
      2       1.8980      2.00000
      3       2.1815      2.00000
      4       2.2766      2.00000
      5       2.5551      2.00000
      6       2.5926      2.00000
      7       2.6248      2.00000
      8       2.8895      2.00000
      9       2.9206      2.00000
     10       3.2149      2.00000
     11       3.2398      2.00000
     12       3.2838      2.00000
     13       3.3566      2.00000
     14       3.4927      2.00000
     15       3.6088      2.00000
     16       3.7609      2.00000
     17       3.7840      2.00000
     18       3.8587      2.00000
     19       3.9484      2.00000
     20       4.3775      2.05341
     21       6.3556     -0.00000
     22       6.4131     -0.00000
     23       6.7123     -0.00000
     24       6.9275     -0.00000
     25       7.0830     -0.00000
     26       7.3755     -0.00000
     27       7.6081     -0.00000
     28       7.7046     -0.00000
     29       7.8761     -0.00000
     30       8.0594     -0.00000
     31       8.0960     -0.00000
     32       8.5108     -0.00000
     33       8.6706     -0.00000
     34       8.7617     -0.00000
     35       9.0904     -0.00000
     36       9.4701     -0.00000
     37       9.5370     -0.00000
     38       9.9405     -0.00000
     39       9.9452     -0.00000
     40      10.0316     -0.00000
     41      10.4390      0.00000
     42      10.6115      0.00000
     43      10.6147      0.00000
     44      11.1199      0.00000

 k-point    43 :       0.2857    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.6255      2.00000
      2       1.9538      2.00000
      3       2.0395      2.00000
      4       2.2375      2.00000
      5       2.3715      2.00000
      6       2.6123      2.00000
      7       2.6343      2.00000
      8       2.7015      2.00000
      9       3.0240      2.00000
     10       3.0804      2.00000
     11       3.2743      2.00000
     12       3.4391      2.00000
     13       3.5612      2.00000
     14       3.6392      2.00000
     15       3.7410      2.00000
     16       3.7745      2.00000
     17       3.9096      2.00000
     18       3.9872      2.00001
     19       4.0835      2.00020
     20       4.3839      2.05627
     21       5.9822     -0.00000
     22       6.1542     -0.00000
     23       6.3766     -0.00000
     24       6.3988     -0.00000
     25       7.0989     -0.00000
     26       7.1899     -0.00000
     27       7.3258     -0.00000
     28       7.8002     -0.00000
     29       7.8460     -0.00000
     30       8.0558     -0.00000
     31       8.1839     -0.00000
     32       8.4548     -0.00000
     33       8.6366     -0.00000
     34       8.9711     -0.00000
     35       9.3111     -0.00000
     36       9.5579     -0.00000
     37       9.6873     -0.00000
     38      10.0027     -0.00000
     39      10.0477     -0.00000
     40      10.2058      0.00000
     41      10.5999      0.00000
     42      10.8050      0.00000
     43      10.9161      0.00000
     44      11.2260      0.00000

 k-point    44 :       0.4286    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.7187      2.00000
      2       1.8551      2.00000
      3       2.0490      2.00000
      4       2.1865      2.00000
      5       2.3351      2.00000
      6       2.4714      2.00000
      7       2.7078      2.00000
      8       2.7778      2.00000
      9       2.8486      2.00000
     10       2.9128      2.00000
     11       3.4349      2.00000
     12       3.5333      2.00000
     13       3.7293      2.00000
     14       3.8059      2.00000
     15       3.8359      2.00000
     16       3.8900      2.00000
     17       3.9247      2.00000
     18       4.0981      2.00029
     19       4.2010      2.00353
     20       4.3449      2.03850
     21       5.7719     -0.00000
     22       5.9699     -0.00000
     23       6.0213     -0.00000
     24       6.0283     -0.00000
     25       7.0663     -0.00000
     26       7.1385     -0.00000
     27       7.1510     -0.00000
     28       7.8181     -0.00000
     29       7.8943     -0.00000
     30       7.9906     -0.00000
     31       8.2726     -0.00000
     32       8.3995     -0.00000
     33       8.4210     -0.00000
     34       8.9875     -0.00000
     35       9.6239     -0.00000
     36       9.7527     -0.00000
     37       9.8759     -0.00000
     38      10.0303     -0.00000
     39      10.0573     -0.00000
     40      10.3887      0.00000
     41      10.6519      0.00000
     42      10.8425      0.00000
     43      11.0662      0.00000
     44      11.2497      0.00000

 k-point    45 :       0.0000    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.6233      2.00000
      2       1.7308      2.00000
      3       2.2443      2.00000
      4       2.3679      2.00000
      5       2.6100      2.00000
      6       2.6743      2.00000
      7       2.7074      2.00000
      8       2.7774      2.00000
      9       2.9341      2.00000
     10       3.2222      2.00000
     11       3.2407      2.00000
     12       3.2842      2.00000
     13       3.3384      2.00000
     14       3.4441      2.00000
     15       3.6727      2.00000
     16       3.6923      2.00000
     17       3.7452      2.00000
     18       3.8600      2.00000
     19       3.8741      2.00000
     20       4.0527      2.00008
     21       6.5228     -0.00000
     22       6.6357     -0.00000
     23       6.8693     -0.00000
     24       6.9397     -0.00000
     25       7.0449     -0.00000
     26       7.0889     -0.00000
     27       7.8187     -0.00000
     28       7.8746     -0.00000
     29       8.1160     -0.00000
     30       8.1376     -0.00000
     31       8.2388     -0.00000
     32       8.3405     -0.00000
     33       8.8550     -0.00000
     34       8.8812     -0.00000
     35       9.0611     -0.00000
     36       9.4995     -0.00000
     37       9.5593     -0.00000
     38       9.6647     -0.00000
     39       9.9041     -0.00000
     40      10.0424     -0.00000
     41      10.1669      0.00000
     42      10.4570      0.00000
     43      10.9738      0.00000
     44      11.1954      0.00000

 k-point    46 :       0.1429    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.6412      2.00000
      2       1.7490      2.00000
      3       2.2631      2.00000
      4       2.3472      2.00000
      5       2.3886      2.00000
      6       2.4569      2.00000
      7       2.9044      2.00000
      8       2.9771      2.00000
      9       3.0003      2.00000
     10       3.0929      2.00000
     11       3.1086      2.00000
     12       3.3126      2.00000
     13       3.4927      2.00000
     14       3.6095      2.00000
     15       3.6164      2.00000
     16       3.7170      2.00000
     17       3.8214      2.00000
     18       3.8709      2.00000
     19       3.9044      2.00000
     20       4.0672      2.00012
     21       6.4148     -0.00000
     22       6.4485     -0.00000
     23       6.5966     -0.00000
     24       6.6815     -0.00000
     25       7.0851     -0.00000
     26       7.1950     -0.00000
     27       7.6919     -0.00000
     28       7.7087     -0.00000
     29       8.0939     -0.00000
     30       8.1905     -0.00000
     31       8.3408     -0.00000
     32       8.5186     -0.00000
     33       8.8070     -0.00000
     34       8.9873     -0.00000
     35       9.0827     -0.00000
     36       9.5471     -0.00000
     37       9.6227     -0.00000
     38       9.6438     -0.00000
     39       9.9819     -0.00000
     40      10.1688      0.00000
     41      10.2566      0.00000
     42      10.5207      0.00000
     43      10.9743      0.00000
     44      11.1367      0.00000

 k-point    47 :       0.2857    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.6959      2.00000
      2       1.8044      2.00000
      3       2.1117      2.00000
      4       2.2213      2.00000
      5       2.3211      2.00000
      6       2.4450      2.00000
      7       2.7351      2.00000
      8       2.8625      2.00000
      9       3.0084      2.00000
     10       3.3070      2.00000
     11       3.3601      2.00000
     12       3.4122      2.00000
     13       3.4709      2.00000
     14       3.6243      2.00000
     15       3.7861      2.00000
     16       3.8352      2.00000
     17       3.8570      2.00000
     18       3.9930      2.00001
     19       4.0089      2.00002
     20       4.1097      2.00040
     21       6.0153     -0.00000
     22       6.1271     -0.00000
     23       6.2149     -0.00000
     24       6.2691     -0.00000
     25       7.1368     -0.00000
     26       7.1728     -0.00000
     27       7.4978     -0.00000
     28       7.6594     -0.00000
     29       8.0996     -0.00000
     30       8.2181     -0.00000
     31       8.3260     -0.00000
     32       8.5792     -0.00000
     33       8.7960     -0.00000
     34       9.0552     -0.00000
     35       9.2670     -0.00000
     36       9.6275     -0.00000
     37       9.7186     -0.00000
     38       9.8011     -0.00000
     39      10.1075     -0.00000
     40      10.3161      0.00000
     41      10.4323      0.00000
     42      10.7199      0.00000
     43      10.9598      0.00000
     44      11.2492      0.00000

 k-point    48 :       0.4286    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.7897      2.00000
      2       1.8991      2.00000
      3       1.9270      2.00000
      4       2.0371      2.00000
      5       2.4169      2.00000
      6       2.5416      2.00000
      7       2.5559      2.00000
      8       2.6827      2.00000
      9       3.0975      2.00000
     10       3.2221      2.00000
     11       3.4220      2.00000
     12       3.5210      2.00000
     13       3.6926      2.00000
     14       3.7771      2.00000
     15       3.8007      2.00000
     16       3.9176      2.00000
     17       3.9196      2.00000
     18       4.0923      2.00025
     19       4.0979      2.00029
     20       4.1668      2.00165
     21       5.7514     -0.00000
     22       5.8365     -0.00000
     23       5.9152     -0.00000
     24       5.9451     -0.00000
     25       7.1350     -0.00000
     26       7.1578     -0.00000
     27       7.3961     -0.00000
     28       7.6618     -0.00000
     29       8.1420     -0.00000
     30       8.2376     -0.00000
     31       8.2767     -0.00000
     32       8.4174     -0.00000
     33       8.8014     -0.00000
     34       9.2800     -0.00000
     35       9.3248     -0.00000
     36       9.5577     -0.00000
     37       9.8808     -0.00000
     38       9.9502     -0.00000
     39      10.1549      0.00000
     40      10.3153      0.00000
     41      10.6121      0.00000
     42      10.9289      0.00000
     43      11.0154      0.00000
     44      11.2749      0.00000

 k-point    49 :       0.0000    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.6749      2.00000
      2       1.8749      2.00000
      3       2.2546      2.00000
      4       2.4749      2.00000
      5       2.4997      2.00000
      6       2.6554      2.00000
      7       2.7102      2.00000
      8       2.7845      2.00000
      9       2.8743      2.00000
     10       2.9051      2.00000
     11       3.1994      2.00000
     12       3.2780      2.00000
     13       3.4032      2.00000
     14       3.4328      2.00000
     15       3.4588      2.00000
     16       3.4716      2.00000
     17       3.6140      2.00000
     18       3.6344      2.00000
     19       4.1283      2.00065
     20       4.3999      2.06289
     21       6.6610     -0.00000
     22       6.8749     -0.00000
     23       7.1460     -0.00000
     24       7.4367     -0.00000
     25       7.5561     -0.00000
     26       7.5602     -0.00000
     27       7.5721     -0.00000
     28       7.7082     -0.00000
     29       8.0698     -0.00000
     30       8.1195     -0.00000
     31       8.1271     -0.00000
     32       8.3883     -0.00000
     33       8.5637     -0.00000
     34       8.8023     -0.00000
     35       9.0681     -0.00000
     36       9.4672     -0.00000
     37       9.5586     -0.00000
     38       9.7416     -0.00000
     39       9.8609     -0.00000
     40       9.8611     -0.00000
     41       9.8868     -0.00000
     42      10.0284     -0.00000
     43      10.0333     -0.00000
     44      10.3099      0.00000

 k-point    50 :       0.1429    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.6928      2.00000
      2       1.8930      2.00000
      3       2.2732      2.00000
      4       2.3937      2.00000
      5       2.5075      2.00000
      6       2.5110      2.00000
      7       2.6153      2.00000
      8       2.7571      2.00000
      9       2.9636      2.00000
     10       3.0460      2.00000
     11       3.1563      2.00000
     12       3.1883      2.00000
     13       3.2825      2.00000
     14       3.4165      2.00000
     15       3.5371      2.00000
     16       3.6995      2.00000
     17       3.7018      2.00000
     18       3.8246      2.00000
     19       4.1538      2.00122
     20       4.4103      2.06645
     21       6.5159     -0.00000
     22       6.5896     -0.00000
     23       6.9316     -0.00000
     24       7.0811     -0.00000
     25       7.4062     -0.00000
     26       7.4250     -0.00000
     27       7.6102     -0.00000
     28       7.6762     -0.00000
     29       8.0431     -0.00000
     30       8.0668     -0.00000
     31       8.3858     -0.00000
     32       8.6380     -0.00000
     33       8.6714     -0.00000
     34       8.9597     -0.00000
     35       9.0562     -0.00000
     36       9.3711     -0.00000
     37       9.4138     -0.00000
     38       9.7077     -0.00000
     39       9.7589     -0.00000
     40      10.0237     -0.00000
     41      10.1024     -0.00000
     42      10.1520      0.00000
     43      10.3476      0.00000
     44      10.5241      0.00000

 k-point    51 :       0.2857    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.7475      2.00000
      2       1.9481      2.00000
      3       2.1628      2.00000
      4       2.3212      2.00000
      5       2.3730      2.00000
      6       2.5587      2.00000
      7       2.5844      2.00000
      8       2.7458      2.00000
      9       2.8126      2.00000
     10       2.9628      2.00000
     11       2.9837      2.00000
     12       3.1972      2.00000
     13       3.4696      2.00000
     14       3.5927      2.00000
     15       3.8095      2.00000
     16       3.9107      2.00000
     17       3.9467      2.00000
     18       3.9872      2.00001
     19       4.2233      2.00558
     20       4.4257      2.07004
     21       6.1355     -0.00000
     22       6.1925     -0.00000
     23       6.4675     -0.00000
     24       6.5411     -0.00000
     25       7.2691     -0.00000
     26       7.3384     -0.00000
     27       7.4105     -0.00000
     28       7.5019     -0.00000
     29       8.0656     -0.00000
     30       8.1087     -0.00000
     31       8.4897     -0.00000
     32       8.5509     -0.00000
     33       8.8008     -0.00000
     34       9.2052     -0.00000
     35       9.3720     -0.00000
     36       9.3863     -0.00000
     37       9.5123     -0.00000
     38       9.7470     -0.00000
     39       9.7522     -0.00000
     40      10.0807     -0.00000
     41      10.4483      0.00000
     42      10.4861      0.00000
     43      10.7797      0.00000
     44      10.9768      0.00000

 k-point    52 :       0.4286    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.8414      2.00000
      2       1.9785      2.00000
      3       2.0424      2.00000
      4       2.1786      2.00000
      5       2.4293      2.00000
      6       2.5667      2.00000
      7       2.6513      2.00000
      8       2.6779      2.00000
      9       2.7853      2.00000
     10       2.8133      2.00000
     11       2.9114      2.00000
     12       3.0426      2.00000
     13       3.8155      2.00000
     14       3.8682      2.00000
     15       3.9509      2.00000
     16       3.9742      2.00001
     17       4.1174      2.00049
     18       4.1898      2.00277
     19       4.2351      2.00701
     20       4.3786      2.05391
     21       5.8991     -0.00000
     22       5.9802     -0.00000
     23       6.0653     -0.00000
     24       6.1203     -0.00000
     25       7.1714     -0.00000
     26       7.2191     -0.00000
     27       7.2899     -0.00000
     28       7.4036     -0.00000
     29       8.1309     -0.00000
     30       8.1958     -0.00000
     31       8.3016     -0.00000
     32       8.3450     -0.00000
     33       8.9628     -0.00000
     34       9.2423     -0.00000
     35       9.5569     -0.00000
     36       9.5873     -0.00000
     37       9.7302     -0.00000
     38       9.7454     -0.00000
     39       9.8260     -0.00000
     40      10.0206     -0.00000
     41      10.7607      0.00000
     42      10.9712      0.00000
     43      11.0509      0.00000
     44      11.3666      0.00000

 k-point    53 :       0.0000    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.7111      2.00000
      2       1.9133      2.00000
      3       2.0539      2.00000
      4       2.2725      2.00000
      5       2.7036      2.00000
      6       2.7488      2.00000
      7       2.7699      2.00000
      8       2.9004      2.00000
      9       2.9664      2.00000
     10       3.0577      2.00000
     11       3.0661      2.00000
     12       3.1077      2.00000
     13       3.2471      2.00000
     14       3.2965      2.00000
     15       3.6028      2.00000
     16       3.6495      2.00000
     17       3.7382      2.00000
     18       3.7643      2.00000
     19       3.9046      2.00000
     20       4.1658      2.00161
     21       6.7004     -0.00000
     22       6.8547     -0.00000
     23       6.9359     -0.00000
     24       7.1551     -0.00000
     25       7.5779     -0.00000
     26       7.6263     -0.00000
     27       7.8194     -0.00000
     28       7.8704     -0.00000
     29       7.9650     -0.00000
     30       7.9769     -0.00000
     31       8.1131     -0.00000
     32       8.3209     -0.00000
     33       8.7104     -0.00000
     34       9.0747     -0.00000
     35       9.1876     -0.00000
     36       9.4283     -0.00000
     37       9.5876     -0.00000
     38       9.6189     -0.00000
     39       9.8967     -0.00000
     40      10.0793     -0.00000
     41      10.2075      0.00000
     42      10.2312      0.00000
     43      10.2431      0.00000
     44      10.5714      0.00000

 k-point    54 :       0.1429    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.7292      2.00000
      2       1.9315      2.00000
      3       2.0727      2.00000
      4       2.2905      2.00000
      5       2.4401      2.00000
      6       2.6299      2.00000
      7       2.7773      2.00000
      8       2.8331      2.00000
      9       2.9741      2.00000
     10       3.0230      2.00000
     11       3.1561      2.00000
     12       3.2542      2.00000
     13       3.3771      2.00000
     14       3.4667      2.00000
     15       3.5329      2.00000
     16       3.6326      2.00000
     17       3.8094      2.00000
     18       3.8669      2.00000
     19       3.9393      2.00000
     20       4.1811      2.00229
     21       6.5194     -0.00000
     22       6.5344     -0.00000
     23       6.8390     -0.00000
     24       6.9113     -0.00000
     25       7.4027     -0.00000
     26       7.4207     -0.00000
     27       7.8058     -0.00000
     28       7.8442     -0.00000
     29       8.0735     -0.00000
     30       8.1728     -0.00000
     31       8.2648     -0.00000
     32       8.4271     -0.00000
     33       8.7644     -0.00000
     34       9.0429     -0.00000
     35       9.1907     -0.00000
     36       9.4341     -0.00000
     37       9.5207     -0.00000
     38       9.6687     -0.00000
     39      10.0170     -0.00000
     40      10.1242     -0.00000
     41      10.1484      0.00000
     42      10.3544      0.00000
     43      10.5718      0.00000
     44      10.7215      0.00000

 k-point    55 :       0.2857    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.7841      2.00000
      2       1.9868      2.00000
      3       2.1295      2.00000
      4       2.2002      2.00000
      5       2.3512      2.00000
      6       2.4033      2.00000
      7       2.5526      2.00000
      8       2.7678      2.00000
      9       2.8766      2.00000
     10       3.1033      2.00000
     11       3.2357      2.00000
     12       3.4010      2.00000
     13       3.5347      2.00000
     14       3.6159      2.00000
     15       3.7242      2.00000
     16       3.7966      2.00000
     17       3.9318      2.00000
     18       3.9617      2.00000
     19       4.0528      2.00008
     20       4.2209      2.00531
     21       6.0799     -0.00000
     22       6.1502     -0.00000
     23       6.3806     -0.00000
     24       6.3813     -0.00000
     25       7.3915     -0.00000
     26       7.4124     -0.00000
     27       7.5778     -0.00000
     28       7.7372     -0.00000
     29       8.1186     -0.00000
     30       8.1831     -0.00000
     31       8.4552     -0.00000
     32       8.5682     -0.00000
     33       8.7500     -0.00000
     34       9.1277     -0.00000
     35       9.3109     -0.00000
     36       9.5068     -0.00000
     37       9.5784     -0.00000
     38       9.7597     -0.00000
     39      10.0716     -0.00000
     40      10.2661      0.00000
     41      10.3013      0.00000
     42      10.4947      0.00000
     43      10.9322      0.00000
     44      11.1458      0.00000

 k-point    56 :       0.4286    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.8785      2.00000
      2       2.0161      2.00000
      3       2.0811      2.00000
      4       2.2097      2.00000
      5       2.2368      2.00000
      6       2.3689      2.00000
      7       2.4463      2.00000
      8       2.5870      2.00000
      9       2.9646      2.00000
     10       3.0891      2.00000
     11       3.1903      2.00000
     12       3.3038      2.00000
     13       3.8097      2.00000
     14       3.8568      2.00000
     15       3.8914      2.00000
     16       3.9192      2.00000
     17       4.0041      2.00002
     18       4.1156      2.00047
     19       4.1268      2.00062
     20       4.2379      2.00740
     21       5.8070     -0.00000
     22       5.8767     -0.00000
     23       5.9686     -0.00000
     24       5.9725     -0.00000
     25       7.3805     -0.00000
     26       7.4299     -0.00000
     27       7.4379     -0.00000
     28       7.6838     -0.00000
     29       8.1301     -0.00000
     30       8.2138     -0.00000
     31       8.3921     -0.00000
     32       8.4185     -0.00000
     33       8.7667     -0.00000
     34       9.3476     -0.00000
     35       9.4210     -0.00000
     36       9.6888     -0.00000
     37       9.7144     -0.00000
     38       9.8727     -0.00000
     39       9.9274     -0.00000
     40      10.1511      0.00000
     41      10.5362      0.00000
     42      10.7461      0.00000
     43      11.0818      0.00000
     44      11.3248      0.00000

 k-point    57 :       0.0000    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.7848      2.00000
      2       1.8981      2.00000
      3       1.9912      2.00000
      4       2.1103      2.00000
      5       2.7732      2.00000
      6       2.8250      2.00000
      7       2.8660      2.00000
      8       2.9217      2.00000
      9       2.9831      2.00000
     10       3.0332      2.00000
     11       3.0999      2.00000
     12       3.1331      2.00000
     13       3.2104      2.00000
     14       3.4305      2.00000
     15       3.5551      2.00000
     16       3.7258      2.00000
     17       3.7763      2.00000
     18       3.8128      2.00000
     19       3.8139      2.00000
     20       3.8318      2.00000
     21       6.7542     -0.00000
     22       6.8062     -0.00000
     23       6.8561     -0.00000
     24       6.9464     -0.00000
     25       7.4232     -0.00000
     26       7.4395     -0.00000
     27       7.7937     -0.00000
     28       7.8513     -0.00000
     29       8.2598     -0.00000
     30       8.2812     -0.00000
     31       8.3026     -0.00000
     32       8.3337     -0.00000
     33       8.8610     -0.00000
     34       9.0509     -0.00000
     35       9.1551     -0.00000
     36       9.2938     -0.00000
     37       9.6273     -0.00000
     38       9.7592     -0.00000
     39       9.7964     -0.00000
     40       9.9068     -0.00000
     41      10.6186      0.00000
     42      10.7337      0.00000
     43      10.7924      0.00000
     44      10.9650      0.00000

 k-point    58 :       0.1429    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.8030      2.00000
      2       1.9165      2.00000
      3       2.0098      2.00000
      4       2.1290      2.00000
      5       2.5139      2.00000
      6       2.6252      2.00000
      7       2.7194      2.00000
      8       2.8358      2.00000
      9       3.1306      2.00000
     10       3.1338      2.00000
     11       3.2452      2.00000
     12       3.3636      2.00000
     13       3.3792      2.00000
     14       3.4758      2.00000
     15       3.6062      2.00000
     16       3.6509      2.00000
     17       3.7810      2.00000
     18       3.8237      2.00000
     19       3.8396      2.00000
     20       3.8491      2.00000
     21       6.5486     -0.00000
     22       6.5520     -0.00000
     23       6.6771     -0.00000
     24       6.7024     -0.00000
     25       7.4455     -0.00000
     26       7.4769     -0.00000
     27       7.7678     -0.00000
     28       7.8096     -0.00000
     29       8.2809     -0.00000
     30       8.2875     -0.00000
     31       8.3559     -0.00000
     32       8.4166     -0.00000
     33       8.9741     -0.00000
     34       9.0160     -0.00000
     35       9.1740     -0.00000
     36       9.4154     -0.00000
     37       9.6584     -0.00000
     38       9.7188     -0.00000
     39       9.8925     -0.00000
     40       9.9764     -0.00000
     41      10.6238      0.00000
     42      10.7323      0.00000
     43      10.8983      0.00000
     44      11.0776      0.00000

 k-point    59 :       0.2857    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.8585      2.00000
      2       1.9724      2.00000
      3       2.0662      2.00000
      4       2.1848      2.00000
      5       2.2794      2.00000
      6       2.3925      2.00000
      7       2.4883      2.00000
      8       2.6079      2.00000
      9       3.1985      2.00000
     10       3.3738      2.00000
     11       3.4642      2.00000
     12       3.4801      2.00000
     13       3.5880      2.00000
     14       3.6321      2.00000
     15       3.7052      2.00000
     16       3.7313      2.00000
     17       3.7856      2.00000
     18       3.8832      2.00000
     19       3.8845      2.00000
     20       3.9300      2.00000
     21       6.0907     -0.00000
     22       6.1492     -0.00000
     23       6.2134     -0.00000
     24       6.2513     -0.00000
     25       7.5081     -0.00000
     26       7.5207     -0.00000
     27       7.7337     -0.00000
     28       7.8080     -0.00000
     29       8.2261     -0.00000
     30       8.2655     -0.00000
     31       8.3464     -0.00000
     32       8.5271     -0.00000
     33       9.0594     -0.00000
     34       9.0913     -0.00000
     35       9.3057     -0.00000
     36       9.5261     -0.00000
     37       9.7132     -0.00000
     38       9.7388     -0.00000
     39       9.9774     -0.00000
     40      10.0311     -0.00000
     41      10.7188      0.00000
     42      10.8496      0.00000
     43      11.0447      0.00000
     44      11.2485      0.00000

 k-point    60 :       0.4286    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.9535      2.00000
      2       2.0676      2.00000
      3       2.0918      2.00000
      4       2.1595      2.00000
      5       2.2109      2.00000
      6       2.2836      2.00000
      7       2.3036      2.00000
      8       2.4241      2.00000
      9       3.2787      2.00000
     10       3.3805      2.00000
     11       3.4695      2.00000
     12       3.5162      2.00000
     13       3.6838      2.00000
     14       3.7156      2.00000
     15       3.7640      2.00000
     16       3.8328      2.00000
     17       3.9494      2.00000
     18       4.0225      2.00003
     19       4.0495      2.00007
     20       4.0580      2.00009
     21       5.7685     -0.00000
     22       5.8179     -0.00000
     23       5.8361     -0.00000
     24       5.8699     -0.00000
     25       7.5291     -0.00000
     26       7.5585     -0.00000
     27       7.7178     -0.00000
     28       7.8507     -0.00000
     29       8.2061     -0.00000
     30       8.2653     -0.00000
     31       8.2976     -0.00000
     32       8.4592     -0.00000
     33       9.0034     -0.00000
     34       9.2831     -0.00000
     35       9.4659     -0.00000
     36       9.5064     -0.00000
     37       9.7728     -0.00000
     38       9.8256     -0.00000
     39       9.9215     -0.00000
     40       9.9829     -0.00000
     41      10.8257      0.00000
     42      10.9940      0.00000
     43      11.1556      0.00000
     44      11.3372      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
  1.206   5.379  -0.004   0.012   0.004
  5.379  22.970  -0.015   0.046   0.015
 -0.004  -0.015  -0.229  -0.001   0.002
  0.012   0.046  -0.001  -0.238  -0.000
  0.004   0.015   0.002  -0.000  -0.230
 total augmentation occupancy for first ion, spin component:           1
  2.468  -0.038   0.040  -0.119  -0.041
 -0.038   0.001  -0.002   0.004   0.002
  0.040  -0.002   0.233  -0.008   0.012
 -0.119   0.004  -0.008   0.146   0.003
 -0.041   0.002   0.012   0.003   0.221


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


    CHARGE:  cpu time    0.1605: real time    0.1605
    FORLOC:  cpu time    0.0092: real time    0.0092
    FORNL :  cpu time   13.6643: real time   13.6654
    STRESS:  cpu time    5.3787: real time    5.3792
    FORCOR:  cpu time    0.0286: real time    0.0286
    FORHAR:  cpu time    0.0224: real time    0.0224
    MIXING:  cpu time    0.0050: real time    0.0050
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    15.27370    15.27370    15.27370
  Ewald    -145.37407  -150.43668  -132.74850     0.00000     0.00000    -0.00000
  Hartree     1.25516     0.72951     1.08889    -0.00000    -0.00000     0.00000
  E(xc)    -110.64131  -111.10024  -109.88142     0.00000     0.00000    -0.00000
  Local       7.62185     2.05370    11.40047     0.00000     0.00000    -0.00000
  n-local   135.23311   135.96648   132.65045     0.01751     0.06888    -0.21382
  augment     7.67391     7.82963     7.33764    -0.00000    -0.00000     0.00000
  Kinetic   222.12995   232.83578   206.75537     0.05895    -1.07434    -0.90944
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     133.17231   133.15187   131.87659     0.00000     0.00000     0.00000
  in kB     777.49529   777.37596   769.93053     0.00000     0.00000     0.00000
  external pressure =       74.93 kB  Pullay stress =      700.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      650.00
  volume of cell :      274.43
      direct lattice vectors                 reciprocal lattice vectors
     6.788599968  0.000000000  0.000000000     0.147305778  0.000000000  0.000000000
     0.000000000  8.062199593  0.000000000     0.000000000  0.124035629  0.000000000
     0.000000000  0.000000000  5.014100075     0.000000000  0.000000000  0.199437583

  length of vectors
     6.788599968  8.062199593  5.014100075     0.147305778  0.124035629  0.199437583


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.175E-01 0.850E-01 -.253E+00   -.464E+00 0.381E+00 -.120E+01   0.499E+00 -.482E+00 0.152E+01   0.149E-05 -.409E-05 0.186E-05
   0.175E-01 -.850E-01 -.253E+00   0.464E+00 -.381E+00 -.120E+01   -.499E+00 0.482E+00 0.152E+01   -.148E-05 0.407E-05 0.186E-05
   -.175E-01 -.850E-01 -.253E+00   -.464E+00 -.381E+00 -.120E+01   0.499E+00 0.482E+00 0.152E+01   0.149E-05 0.411E-05 0.186E-05
   0.175E-01 0.850E-01 -.253E+00   0.464E+00 0.381E+00 -.120E+01   -.499E+00 -.482E+00 0.152E+01   -.149E-05 -.409E-05 0.186E-05
   -.175E-01 0.850E-01 -.253E+00   -.464E+00 0.381E+00 -.120E+01   0.499E+00 -.482E+00 0.152E+01   0.149E-05 -.409E-05 0.186E-05
   0.175E-01 -.850E-01 -.253E+00   0.464E+00 -.381E+00 -.120E+01   -.499E+00 0.482E+00 0.152E+01   -.148E-05 0.411E-05 0.186E-05
   -.175E-01 -.850E-01 -.253E+00   -.464E+00 -.381E+00 -.120E+01   0.499E+00 0.482E+00 0.152E+01   0.149E-05 0.407E-05 0.186E-05
   0.175E-01 0.850E-01 -.253E+00   0.464E+00 0.381E+00 -.120E+01   -.499E+00 -.482E+00 0.152E+01   -.149E-05 -.409E-05 0.186E-05
   -.187E-01 -.227E-01 0.122E+00   -.282E-01 -.265E+00 0.724E+00   0.664E-01 0.289E+00 -.903E+00   0.266E-06 0.413E-05 -.634E-06
   0.187E-01 0.227E-01 0.122E+00   0.282E-01 0.265E+00 0.724E+00   -.664E-01 -.289E+00 -.903E+00   -.260E-06 -.416E-05 -.634E-06
   -.187E-01 0.227E-01 0.122E+00   -.282E-01 0.265E+00 0.724E+00   0.664E-01 -.289E+00 -.903E+00   0.251E-06 -.414E-05 -.634E-06
   0.187E-01 -.227E-01 0.122E+00   0.282E-01 -.265E+00 0.724E+00   -.664E-01 0.289E+00 -.903E+00   -.256E-06 0.417E-05 -.634E-06
   -.187E-01 -.227E-01 0.122E+00   -.282E-01 -.265E+00 0.724E+00   0.664E-01 0.289E+00 -.903E+00   0.265E-06 0.417E-05 -.633E-06
   0.187E-01 0.227E-01 0.122E+00   0.283E-01 0.265E+00 0.724E+00   -.664E-01 -.289E+00 -.903E+00   -.261E-06 -.414E-05 -.633E-06
   -.187E-01 0.227E-01 0.122E+00   -.282E-01 0.265E+00 0.724E+00   0.664E-01 -.289E+00 -.903E+00   0.251E-06 -.416E-05 -.633E-06
   0.187E-01 -.227E-01 0.122E+00   0.282E-01 -.265E+00 0.724E+00   -.664E-01 0.289E+00 -.903E+00   -.256E-06 0.413E-05 -.633E-06
   -.280E+00 -.189E+00 0.227E-01   -.681E+00 -.212E-01 0.830E-01   0.990E+00 0.226E+00 -.105E+00   0.959E-06 -.384E-05 -.202E-05
   0.280E+00 0.189E+00 0.227E-01   0.681E+00 0.212E-01 0.830E-01   -.990E+00 -.226E+00 -.105E+00   -.951E-06 0.382E-05 -.202E-05
   -.280E+00 0.189E+00 0.227E-01   -.681E+00 0.212E-01 0.830E-01   0.990E+00 -.226E+00 -.105E+00   0.949E-06 0.386E-05 -.202E-05
   0.280E+00 -.189E+00 0.227E-01   0.681E+00 -.212E-01 0.830E-01   -.990E+00 0.226E+00 -.105E+00   -.956E-06 -.384E-05 -.202E-05
   -.280E+00 -.189E+00 0.227E-01   -.681E+00 -.212E-01 0.830E-01   0.990E+00 0.226E+00 -.105E+00   0.958E-06 -.384E-05 -.202E-05
   0.280E+00 0.189E+00 0.227E-01   0.681E+00 0.212E-01 0.830E-01   -.990E+00 -.226E+00 -.105E+00   -.952E-06 0.386E-05 -.202E-05
   -.280E+00 0.189E+00 0.227E-01   -.681E+00 0.212E-01 0.830E-01   0.990E+00 -.226E+00 -.105E+00   0.948E-06 0.382E-05 -.202E-05
   0.280E+00 -.189E+00 0.227E-01   0.681E+00 -.212E-01 0.830E-01   -.990E+00 0.226E+00 -.105E+00   -.957E-06 -.384E-05 -.202E-05
   -.580E-01 -.703E-01 0.191E-01   -.223E+00 0.764E-01 0.595E-01   0.279E+00 -.425E-02 -.642E-01   -.898E-08 0.236E-06 0.205E-06
   0.580E-01 0.703E-01 0.191E-01   0.223E+00 -.764E-01 0.595E-01   -.279E+00 0.425E-02 -.642E-01   0.446E-08 -.234E-06 0.205E-06
   -.580E-01 0.703E-01 0.191E-01   -.223E+00 -.764E-01 0.595E-01   0.279E+00 0.425E-02 -.642E-01   0.566E-08 -.217E-06 0.205E-06
   0.580E-01 -.703E-01 0.191E-01   0.223E+00 0.764E-01 0.595E-01   -.279E+00 -.425E-02 -.642E-01   -.979E-09 0.215E-06 0.205E-06
   -.580E-01 -.703E-01 0.191E-01   -.223E+00 0.764E-01 0.595E-01   0.279E+00 -.425E-02 -.642E-01   -.889E-08 0.215E-06 0.206E-06
   0.580E-01 0.703E-01 0.191E-01   0.223E+00 -.764E-01 0.595E-01   -.279E+00 0.425E-02 -.642E-01   0.420E-08 -.217E-06 0.206E-06
   -.580E-01 0.703E-01 0.191E-01   -.223E+00 -.764E-01 0.595E-01   0.279E+00 0.425E-02 -.642E-01   0.540E-08 -.234E-06 0.206E-06
   0.580E-01 -.703E-01 0.191E-01   0.223E+00 0.764E-01 0.595E-01   -.279E+00 -.425E-02 -.642E-01   -.885E-09 0.236E-06 0.206E-06
   0.363E-01 0.183E+00 0.977E-01   0.232E+00 -.183E+00 0.333E+00   -.265E+00 -.107E-01 -.456E+00   -.132E-05 0.482E-05 0.434E-06
   -.363E-01 -.183E+00 0.977E-01   -.232E+00 0.183E+00 0.333E+00   0.265E+00 0.107E-01 -.456E+00   0.132E-05 -.485E-05 0.434E-06
   0.363E-01 -.183E+00 0.977E-01   0.232E+00 0.183E+00 0.333E+00   -.265E+00 0.107E-01 -.456E+00   -.130E-05 -.483E-05 0.434E-06
   -.363E-01 0.183E+00 0.977E-01   -.232E+00 -.183E+00 0.333E+00   0.265E+00 -.107E-01 -.456E+00   0.131E-05 0.485E-05 0.434E-06
   0.363E-01 0.183E+00 0.977E-01   0.232E+00 -.183E+00 0.333E+00   -.265E+00 -.107E-01 -.456E+00   -.132E-05 0.485E-05 0.434E-06
   -.363E-01 -.183E+00 0.977E-01   -.232E+00 0.183E+00 0.333E+00   0.265E+00 0.107E-01 -.456E+00   0.132E-05 -.483E-05 0.434E-06
   0.363E-01 -.183E+00 0.977E-01   0.232E+00 0.183E+00 0.333E+00   -.265E+00 0.107E-01 -.456E+00   -.130E-05 -.485E-05 0.434E-06
   -.363E-01 0.183E+00 0.977E-01   -.232E+00 -.183E+00 0.333E+00   0.265E+00 -.107E-01 -.456E+00   0.131E-05 0.482E-05 0.434E-06
 -----------------------------------------------------------------------------------------------
   -.293E-04 0.245E-04 0.632E-01   0.203E-14 -.180E-14 -.150E-14   0.555E-16 0.137E-15 -.643E-01   0.843E-12 0.113E-11 -.125E-05
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.63229      0.93771      0.00000         0.018125     -0.015652      0.067435
      6.15631      7.12449      0.00000        -0.018125      0.015652      0.067435
      4.02659      3.09339      0.00000         0.018125      0.015652      0.067435
      2.76201      4.96881      0.00000        -0.018125     -0.015652      0.067435
      0.63229      4.96881      2.50705         0.018125     -0.015652      0.067435
      6.15631      3.09339      2.50705        -0.018125      0.015652      0.067435
      4.02659      7.12449      2.50705         0.018125      0.015652      0.067435
      2.76201      0.93771      2.50705        -0.018125     -0.015652      0.067435
      5.85856      7.28129      1.57337         0.019454      0.001121     -0.057246
      0.93004      0.78090      1.57337        -0.019454     -0.001121     -0.057246
      2.46426      4.81200      1.57337         0.019454     -0.001121     -0.057246
      4.32434      3.25020      1.57337        -0.019454      0.001121     -0.057246
      5.85856      3.25020      4.08042         0.019454      0.001121     -0.057246
      0.93004      4.81200      4.08042        -0.019454     -0.001121     -0.057246
      2.46426      0.78090      4.08042         0.019454     -0.001121     -0.057246
      4.32434      7.28129      4.08042        -0.019454      0.001121     -0.057246
      6.57021      0.94255      2.97873         0.028951      0.016017      0.000384
      0.21839      7.11965      2.97873        -0.028951     -0.016017      0.000384
      3.17591      3.08855      2.97873         0.028951     -0.016017      0.000384
      3.61269      4.97365      2.97873        -0.028951      0.016017      0.000384
      6.57021      4.97365      0.47168         0.028951      0.016017      0.000384
      0.21839      3.08855      0.47168        -0.028951     -0.016017      0.000384
      3.17591      7.11965      0.47168         0.028951     -0.016017      0.000384
      3.61269      0.94255      0.47168        -0.028951      0.016017      0.000384
      2.38477      2.16131      0.88183        -0.002262      0.001907      0.014428
      4.40383      5.90089      0.88183         0.002262     -0.001907      0.014428
      5.77907      1.86979      0.88183        -0.002262     -0.001907      0.014428
      1.00953      6.19241      0.88183         0.002262      0.001907      0.014428
      2.38477      6.19241      3.38888        -0.002262      0.001907      0.014428
      4.40383      1.86979      3.38888         0.002262     -0.001907      0.014428
      5.77907      5.90089      3.38888        -0.002262     -0.001907      0.014428
      1.00953      2.16131      3.38888         0.002262      0.001907      0.014428
      1.96917      7.35152      1.89057         0.003580     -0.010594     -0.025001
      4.81943      0.71068      1.89057        -0.003580      0.010594     -0.025001
      5.36347      4.74178      1.89057         0.003580      0.010594     -0.025001
      1.42513      3.32042      1.89057        -0.003580     -0.010594     -0.025001
      1.96917      3.32042      4.39762         0.003580     -0.010594     -0.025001
      4.81943      4.74178      4.39762        -0.003580      0.010594     -0.025001
      5.36347      0.71068      4.39762         0.003580      0.010594     -0.025001
      1.42513      7.35152      4.39762        -0.003580     -0.010594     -0.025001
 -----------------------------------------------------------------------------------
    total drift:                               -0.000029      0.000024     -0.001147


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -11.72779781 eV

  energy  without entropy=      -11.73805310  energy(sigma->0) =      -11.73121624
  enthalpy is  TOTEN    =       108.17083161 eV   P V=      119.89862941



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


    POTLOK:  cpu time    0.0293: real time    0.0300


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




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


    WAVPRE:  cpu time    0.0067: real time    0.0067
 FEWALD executed in parallel
    FEWALD:  cpu time    0.0016: real time    0.0026
    GENKIN:  cpu time    0.0278: real time    0.0278
    ORTHCH:  cpu time    0.5291: real time    0.5292
     LOOP+:  cpu time   87.6501: real time   87.7133


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


    POTLOK:  cpu time    0.0211: real time    0.0211
    SETDIJ:  cpu time    0.0059: real time    0.0059
     EDDAV:  cpu time    4.6849: real time    4.6854
       DOS:  cpu time    0.0078: real time    0.0078
    CHARGE:  cpu time    0.1692: real time    0.1692
    MIXING:  cpu time    0.0029: real time    0.0029
    --------------------------------------------
      LOOP:  cpu time    4.8941: real time    4.8958

 eigenvalue-minimisations  :  5328
 total energy-change (2. order) :-0.7032729E+01  (-0.4794740E-01)
 number of electron      40.0000004 magnetization 
 augmentation part        0.9286977 magnetization 

  free energy =  -0.187605256986E+02  energy without entropy=  -0.187706505576E+02


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




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


    POTLOK:  cpu time    0.0215: real time    0.0215
    SETDIJ:  cpu time    0.0067: real time    0.0067
     EDDAV:  cpu time    5.6060: real time    5.6065
       DOS:  cpu time    0.0081: real time    0.0081
    CHARGE:  cpu time    0.1655: real time    0.1655
    MIXING:  cpu time    0.0038: real time    0.0038
    --------------------------------------------
      LOOP:  cpu time    5.8127: real time    5.8133

 eigenvalue-minimisations  :  6908
 total energy-change (2. order) : 0.6639474E-02  (-0.1048812E-02)
 number of electron      40.0000004 magnetization 
 augmentation part        0.9341062 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.1454
  2.1454

  free energy =  -0.187538862248E+02  energy without entropy=  -0.187639854296E+02


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




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


    POTLOK:  cpu time    0.0217: real time    0.0217
    SETDIJ:  cpu time    0.0060: real time    0.0060
     EDDAV:  cpu time    5.2397: real time    5.2402
       DOS:  cpu time    0.0071: real time    0.0071
    CHARGE:  cpu time    0.1723: real time    0.1723
    MIXING:  cpu time    0.0037: real time    0.0037
    --------------------------------------------
      LOOP:  cpu time    5.4515: real time    5.4521

 eigenvalue-minimisations  :  6212
 total energy-change (2. order) : 0.4273929E-02  (-0.9613042E-04)
 number of electron      40.0000004 magnetization 
 augmentation part        0.9348211 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9773
  1.1466  2.8079

  free energy =  -0.187496122956E+02  energy without entropy=  -0.187596870951E+02


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




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


    POTLOK:  cpu time    0.0220: real time    0.0220
    SETDIJ:  cpu time    0.0057: real time    0.0057
     EDDAV:  cpu time    5.7440: real time    5.7446
       DOS:  cpu time    0.0077: real time    0.0077
    CHARGE:  cpu time    0.1734: real time    0.1734
    MIXING:  cpu time    0.0038: real time    0.0038
    --------------------------------------------
      LOOP:  cpu time    5.9575: real time    5.9581

 eigenvalue-minimisations  :  7044
 total energy-change (2. order) : 0.3495328E-04  (-0.5177765E-05)
 number of electron      40.0000004 magnetization 
 augmentation part        0.9351157 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9728
  0.9755  2.7578  2.1852

  free energy =  -0.187495773423E+02  energy without entropy=  -0.187596524682E+02


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




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


    POTLOK:  cpu time    0.0216: real time    0.0216
    SETDIJ:  cpu time    0.0056: real time    0.0056
     EDDAV:  cpu time    5.2252: real time    5.2258
       DOS:  cpu time    0.0074: real time    0.0075
    CHARGE:  cpu time    0.1742: real time    0.1742
    MIXING:  cpu time    0.0037: real time    0.0037
    --------------------------------------------
      LOOP:  cpu time    5.4387: real time    5.4393

 eigenvalue-minimisations  :  6020
 total energy-change (2. order) : 0.5332001E-05  (-0.4096139E-06)
 number of electron      40.0000004 magnetization 
 augmentation part        0.9351416 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9204
  2.7677  2.4726  1.0008  1.4404

  free energy =  -0.187495720103E+02  energy without entropy=  -0.187596507379E+02


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




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


    POTLOK:  cpu time    0.0221: real time    0.0221
    SETDIJ:  cpu time    0.0056: real time    0.0066
     EDDAV:  cpu time    3.5745: real time    3.5814
       DOS:  cpu time    0.0069: real time    0.0069
    CHARGE:  cpu time    0.2037: real time    0.2049
    MIXING:  cpu time    0.0045: real time    0.0045
    --------------------------------------------
      LOOP:  cpu time    3.8184: real time    3.8275

 eigenvalue-minimisations  :  3204
 total energy-change (2. order) :-0.5723267E-05  (-0.3542230E-07)
 number of electron      40.0000004 magnetization 
 augmentation part        0.9351458 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7956
  2.7341  2.5229  1.7420  0.9584  1.0208

  free energy =  -0.187495777336E+02  energy without entropy=  -0.187596567039E+02


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




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


    POTLOK:  cpu time    0.0218: real time    0.0238
    SETDIJ:  cpu time    0.0062: real time    0.0073
     EDDAV:  cpu time    3.5669: real time    3.5700
       DOS:  cpu time    0.0071: real time    0.0071
    --------------------------------------------
      LOOP:  cpu time    3.6037: real time    3.6102

 eigenvalue-minimisations  :  3108
 total energy-change (2. order) :-0.1218866E-06  (-0.4428984E-08)
 number of electron      40.0000004 magnetization 
 augmentation part        0.9351458 magnetization 

  free energy =  -0.187495778555E+02  energy without entropy=  -0.187596566694E+02


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




 average (electrostatic) potential at core
  the test charge radii are     0.9748
  (the norm of the test charge is              1.0000)
       1 -26.0586       2 -26.0586       3 -26.0586       4 -26.0586       5 -26.0586
       6 -26.0586       7 -26.0586       8 -26.0586       9 -25.9976      10 -25.9976
      11 -25.9976      12 -25.9976      13 -25.9976      14 -25.9976      15 -25.9976
      16 -25.9976      17 -26.0038      18 -26.0038      19 -26.0038      20 -26.0038
      21 -26.0038      22 -26.0038      23 -26.0038      24 -26.0038      25 -25.9300
      26 -25.9300      27 -25.9300      28 -25.9300      29 -25.9300      30 -25.9300
      31 -25.9300      32 -25.9300      33 -26.0990      34 -26.0990      35 -26.0990
      36 -26.0990      37 -26.0990      38 -26.0990      39 -26.0990      40 -26.0990
 
 
 
 E-fermi :   4.3816     XC(G=0):  -9.5063     alpha+bet :-20.2574


 k-point     1 :       0.0000    0.0833    0.0500
  band No.  band energies     occupation 
      1       0.8395      2.00000
      2       1.3964      2.00000
      3       1.6374      2.00000
      4       1.8943      2.00000
      5       1.9360      2.00000
      6       2.4202      2.00000
      7       2.5254      2.00000
      8       2.6798      2.00000
      9       2.7734      2.00000
     10       2.8273      2.00000
     11       3.1293      2.00000
     12       3.2013      2.00000
     13       3.3084      2.00000
     14       3.3498      2.00000
     15       3.4228      2.00000
     16       3.5360      2.00000
     17       3.7636      2.00011
     18       4.1006      2.06317
     19       4.1304      2.07063
     20       4.3061      1.59144
     21       5.4429     -0.00000
     22       5.6409     -0.00000
     23       5.8057     -0.00000
     24       5.9559     -0.00000
     25       6.1004     -0.00000
     26       6.1811     -0.00000
     27       6.4354     -0.00000
     28       7.0132     -0.00000
     29       7.0145     -0.00000
     30       7.0958     -0.00000
     31       7.2573     -0.00000
     32       7.3448     -0.00000
     33       7.9581     -0.00000
     34       8.0281     -0.00000
     35       8.6665     -0.00000
     36       8.8171     -0.00000
     37       9.0837     -0.00000
     38       9.3112     -0.00000
     39       9.6854     -0.00000
     40       9.6975     -0.00000
     41       9.9444      0.00000
     42      10.1526      0.00000
     43      10.4031      0.00000
     44      10.6698      0.00000

 k-point     2 :       0.1429    0.0833    0.0500
  band No.  band energies     occupation 
      1       0.8584      2.00000
      2       1.4170      2.00000
      3       1.6032      2.00000
      4       1.6586      2.00000
      5       2.1765      2.00000
      6       2.2911      2.00000
      7       2.4303      2.00000
      8       2.7781      2.00000
      9       2.8685      2.00000
     10       3.0565      2.00000
     11       3.1573      2.00000
     12       3.2148      2.00000
     13       3.2940      2.00000
     14       3.3412      2.00000
     15       3.4534      2.00000
     16       3.5401      2.00000
     17       3.6996      2.00002
     18       3.9785      2.01519
     19       4.1470      2.07004
     20       4.3489      1.27264
     21       5.3295     -0.00000
     22       5.4924     -0.00000
     23       5.7655     -0.00000
     24       5.8697     -0.00000
     25       6.0369     -0.00000
     26       6.4140     -0.00000
     27       6.5118     -0.00000
     28       6.7295     -0.00000
     29       6.9854     -0.00000
     30       7.0860     -0.00000
     31       7.1903     -0.00000
     32       7.2759     -0.00000
     33       8.2167     -0.00000
     34       8.2826     -0.00000
     35       8.6853     -0.00000
     36       8.7468     -0.00000
     37       9.1074     -0.00000
     38       9.2875     -0.00000
     39       9.6266     -0.00000
     40       9.7794     -0.00000
     41       9.9267      0.00000
     42      10.0147      0.00000
     43      10.6959      0.00000
     44      10.7739      0.00000

 k-point     3 :       0.2857    0.0833    0.0500
  band No.  band energies     occupation 
      1       0.9159      2.00000
      2       1.3531      2.00000
      3       1.4791      2.00000
      4       1.7223      2.00000
      5       1.9322      2.00000
      6       2.1837      2.00000
      7       2.7278      2.00000
      8       2.8758      2.00000
      9       3.1492      2.00000
     10       3.1860      2.00000
     11       3.2377      2.00000
     12       3.2566      2.00000
     13       3.3426      2.00000
     14       3.4337      2.00000
     15       3.4943      2.00000
     16       3.5373      2.00000
     17       3.6393      2.00000
     18       3.7644      2.00011
     19       4.0701      2.05004
     20       4.2511      1.88442
     21       5.2305     -0.00000
     22       5.3322     -0.00000
     23       5.6563     -0.00000
     24       5.7376     -0.00000
     25       5.7713     -0.00000
     26       6.1385     -0.00000
     27       6.6642     -0.00000
     28       6.9099     -0.00000
     29       6.9797     -0.00000
     30       7.0715     -0.00000
     31       7.1549     -0.00000
     32       7.4308     -0.00000
     33       8.3719     -0.00000
     34       8.3831     -0.00000
     35       8.6301     -0.00000
     36       8.7594     -0.00000
     37       9.0687     -0.00000
     38       9.1888     -0.00000
     39       9.6592     -0.00000
     40       9.7359     -0.00000
     41      10.0123      0.00000
     42      10.2066      0.00000
     43      10.8431      0.00000
     44      10.9689      0.00000

 k-point     4 :       0.4286    0.0833    0.0500
  band No.  band energies     occupation 
      1       1.0146      2.00000
      2       1.1587      2.00000
      3       1.5841      2.00000
      4       1.7338      2.00000
      5       1.8311      2.00000
      6       1.9837      2.00000
      7       2.9640      2.00000
      8       3.0718      2.00000
      9       3.2086      2.00000
     10       3.3167      2.00000
     11       3.3430      2.00000
     12       3.3647      2.00000
     13       3.4267      2.00000
     14       3.4283      2.00000
     15       3.5551      2.00000
     16       3.5630      2.00000
     17       3.6281      2.00000
     18       3.6800      2.00001
     19       3.8230      2.00057
     20       4.0191      2.02788
     21       5.2507     -0.00000
     22       5.3735     -0.00000
     23       5.5324     -0.00000
     24       5.5423     -0.00000
     25       5.6544     -0.00000
     26       5.6750     -0.00000
     27       6.8646     -0.00000
     28       6.9804     -0.00000
     29       7.0147     -0.00000
     30       7.0501     -0.00000
     31       7.5046     -0.00000
     32       7.7470     -0.00000
     33       8.0193     -0.00000
     34       8.1044     -0.00000
     35       8.7550     -0.00000
     36       8.8140     -0.00000
     37       8.9635     -0.00000
     38       9.0489     -0.00000
     39       9.6509     -0.00000
     40       9.7243     -0.00000
     41      10.3104      0.00000
     42      10.4046      0.00000
     43      11.0614      0.00000
     44      11.1642      0.00000

 k-point     5 :       0.0000    0.2500    0.0500
  band No.  band energies     occupation 
      1       0.8740      2.00000
      2       1.2024      2.00000
      3       1.9219      2.00000
      4       1.9269      2.00000
      5       1.9735      2.00000
      6       2.2406      2.00000
      7       2.3318      2.00000
      8       2.8485      2.00000
      9       2.9232      2.00000
     10       2.9635      2.00000
     11       3.0465      2.00000
     12       3.1251      2.00000
     13       3.3149      2.00000
     14       3.4133      2.00000
     15       3.4178      2.00000
     16       3.6066      2.00000
     17       3.6766      2.00001
     18       3.9272      2.00603
     19       3.9525      2.00970
     20       4.1474      2.06997
     21       5.5861     -0.00000
     22       5.7150     -0.00000
     23       5.8514     -0.00000
     24       6.1075     -0.00000
     25       6.1804     -0.00000
     26       6.3213     -0.00000
     27       6.4038     -0.00000
     28       6.6605     -0.00000
     29       7.1590     -0.00000
     30       7.2089     -0.00000
     31       7.3108     -0.00000
     32       7.4802     -0.00000
     33       7.9125     -0.00000
     34       8.0478     -0.00000
     35       8.7430     -0.00000
     36       8.9109     -0.00000
     37       8.9374     -0.00000
     38       9.0736     -0.00000
     39       9.4066     -0.00000
     40       9.7177     -0.00000
     41       9.7684     -0.00000
     42      10.2359      0.00000
     43      10.3260      0.00000
     44      10.7676      0.00000

 k-point     6 :       0.1429    0.2500    0.0500
  band No.  band energies     occupation 
      1       0.8930      2.00000
      2       1.2224      2.00000
      3       1.6390      2.00000
      4       1.9374      2.00000
      5       1.9878      2.00000
      6       2.3234      2.00000
      7       2.6350      2.00000
      8       2.7212      2.00000
      9       2.8802      2.00000
     10       2.9512      2.00000
     11       3.1421      2.00000
     12       3.2662      2.00000
     13       3.3139      2.00000
     14       3.4132      2.00000
     15       3.4405      2.00000
     16       3.6107      2.00000
     17       3.6277      2.00000
     18       3.7452      2.00007
     19       4.0273      2.03107
     20       4.1908      2.03944
     21       5.4630     -0.00000
     22       5.6434     -0.00000
     23       5.8191     -0.00000
     24       5.9566     -0.00000
     25       6.1102     -0.00000
     26       6.3852     -0.00000
     27       6.5278     -0.00000
     28       6.6016     -0.00000
     29       7.0546     -0.00000
     30       7.1908     -0.00000
     31       7.2173     -0.00000
     32       7.4577     -0.00000
     33       8.1591     -0.00000
     34       8.2289     -0.00000
     35       8.7493     -0.00000
     36       8.8692     -0.00000
     37       8.8830     -0.00000
     38       9.0845     -0.00000
     39       9.4813     -0.00000
     40       9.6755     -0.00000
     41       9.7856     -0.00000
     42      10.2980      0.00000
     43      10.3468      0.00000
     44      10.8849      0.00000

 k-point     7 :       0.2857    0.2500    0.0500
  band No.  band energies     occupation 
      1       0.9508      2.00000
      2       1.2828      2.00000
      3       1.3891      2.00000
      4       1.7303      2.00000
      5       2.0135      2.00000
      6       2.4797      2.00000
      7       2.7502      2.00000
      8       2.9042      2.00000
      9       3.0365      2.00000
     10       3.0447      2.00000
     11       3.1908      2.00000
     12       3.2263      2.00000
     13       3.3836      2.00000
     14       3.4546      2.00000
     15       3.5271      2.00000
     16       3.5298      2.00000
     17       3.5870      2.00000
     18       3.6423      2.00000
     19       3.9631      2.01172
     20       4.1447      2.07039
     21       5.3014     -0.00000
     22       5.5649     -0.00000
     23       5.6635     -0.00000
     24       5.7136     -0.00000
     25       5.9947     -0.00000
     26       6.0937     -0.00000
     27       6.5139     -0.00000
     28       6.9563     -0.00000
     29       6.9969     -0.00000
     30       7.2306     -0.00000
     31       7.3751     -0.00000
     32       7.4032     -0.00000
     33       8.2429     -0.00000
     34       8.3912     -0.00000
     35       8.6563     -0.00000
     36       8.7482     -0.00000
     37       8.9016     -0.00000
     38       9.0247     -0.00000
     39       9.4865     -0.00000
     40       9.6505     -0.00000
     41      10.0023      0.00000
     42      10.4231      0.00000
     43      10.5542      0.00000
     44      11.0599      0.00000

 k-point     8 :       0.4286    0.2500    0.0500
  band No.  band energies     occupation 
      1       1.0499      2.00000
      2       1.1944      2.00000
      3       1.3858      2.00000
      4       1.5339      2.00000
      5       2.1241      2.00000
      6       2.2799      2.00000
      7       3.0015      2.00000
      8       3.1137      2.00000
      9       3.1260      2.00000
     10       3.2313      2.00000
     11       3.2912      2.00000
     12       3.3239      2.00000
     13       3.3459      2.00000
     14       3.3686      2.00000
     15       3.4636      2.00000
     16       3.5368      2.00000
     17       3.6572      2.00000
     18       3.6851      2.00001
     19       3.7572      2.00009
     20       3.9155      2.00477
     21       5.3146     -0.00000
     22       5.5035     -0.00000
     23       5.5049     -0.00000
     24       5.6836     -0.00000
     25       5.6876     -0.00000
     26       5.8632     -0.00000
     27       6.6830     -0.00000
     28       6.8487     -0.00000
     29       7.2012     -0.00000
     30       7.3004     -0.00000
     31       7.6034     -0.00000
     32       7.6876     -0.00000
     33       8.0358     -0.00000
     34       8.0665     -0.00000
     35       8.6969     -0.00000
     36       8.7537     -0.00000
     37       8.8313     -0.00000
     38       8.9148     -0.00000
     39       9.4584     -0.00000
     40       9.6230     -0.00000
     41      10.2883      0.00000
     42      10.4597      0.00000
     43      10.9918      0.00000
     44      11.1863      0.00000

 k-point     9 :       0.0000    0.4167    0.0500
  band No.  band energies     occupation 
      1       0.9443      2.00000
      2       1.0527      2.00000
      3       1.9937      2.00000
      4       2.0485      2.00000
      5       2.0973      2.00000
      6       2.1478      2.00000
      7       2.2758      2.00000
      8       2.6053      2.00000
      9       2.9259      2.00000
     10       3.0225      2.00000
     11       3.2579      2.00000
     12       3.3464      2.00000
     13       3.3479      2.00000
     14       3.3877      2.00000
     15       3.5185      2.00000
     16       3.5210      2.00000
     17       3.6545      2.00000
     18       3.6970      2.00001
     19       3.7436      2.00006
     20       3.9345      2.00695
     21       5.8316     -0.00000
     22       5.8435     -0.00000
     23       5.9849     -0.00000
     24       6.0237     -0.00000
     25       6.1067     -0.00000
     26       6.3008     -0.00000
     27       6.5007     -0.00000
     28       6.8260     -0.00000
     29       6.8568     -0.00000
     30       7.1655     -0.00000
     31       7.4896     -0.00000
     32       7.7494     -0.00000
     33       8.0560     -0.00000
     34       8.2202     -0.00000
     35       8.3886     -0.00000
     36       8.8677     -0.00000
     37       8.9327     -0.00000
     38       9.0018     -0.00000
     39       9.1688     -0.00000
     40       9.4538     -0.00000
     41       9.7947     -0.00000
     42       9.9078      0.00000
     43      10.6097      0.00000
     44      10.7910      0.00000

 k-point    10 :       0.1429    0.4167    0.0500
  band No.  band energies     occupation 
      1       0.9635      2.00000
      2       1.0722      2.00000
      3       1.7118      2.00000
      4       1.8236      2.00000
      5       2.2692      2.00000
      6       2.3851      2.00000
      7       2.5063      2.00000
      8       2.6357      2.00000
      9       2.9457      2.00000
     10       3.0416      2.00000
     11       3.0531      2.00000
     12       3.3528      2.00000
     13       3.3990      2.00000
     14       3.4042      2.00000
     15       3.4186      2.00000
     16       3.5346      2.00000
     17       3.6002      2.00000
     18       3.7526      2.00008
     19       3.8280      2.00064
     20       3.9625      2.01160
     21       5.6560     -0.00000
     22       5.8234     -0.00000
     23       5.8587     -0.00000
     24       6.0051     -0.00000
     25       6.1420     -0.00000
     26       6.2513     -0.00000
     27       6.4401     -0.00000
     28       6.7895     -0.00000
     29       6.8873     -0.00000
     30       7.1024     -0.00000
     31       7.5093     -0.00000
     32       7.8770     -0.00000
     33       8.0422     -0.00000
     34       8.3525     -0.00000
     35       8.4414     -0.00000
     36       8.8473     -0.00000
     37       8.8786     -0.00000
     38       9.1010     -0.00000
     39       9.1291     -0.00000
     40       9.4159     -0.00000
     41       9.8579      0.00000
     42       9.9770      0.00000
     43      10.6276      0.00000
     44      10.8387      0.00000

 k-point    11 :       0.2857    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.0218      2.00000
      2       1.1315      2.00000
      3       1.4623      2.00000
      4       1.5751      2.00000
      5       2.3422      2.00000
      6       2.6774      2.00000
      7       2.8179      2.00000
      8       2.8383      2.00000
      9       2.8931      2.00000
     10       3.0197      2.00000
     11       3.0972      2.00000
     12       3.1829      2.00000
     13       3.2979      2.00000
     14       3.3833      2.00000
     15       3.4391      2.00000
     16       3.5107      2.00000
     17       3.6519      2.00000
     18       3.8044      2.00035
     19       3.8134      2.00044
     20       3.9898      2.01821
     21       5.4291     -0.00000
     22       5.5534     -0.00000
     23       5.7771     -0.00000
     24       5.9536     -0.00000
     25       5.9645     -0.00000
     26       6.2547     -0.00000
     27       6.3119     -0.00000
     28       6.6562     -0.00000
     29       7.1444     -0.00000
     30       7.2740     -0.00000
     31       7.5992     -0.00000
     32       7.9207     -0.00000
     33       7.9803     -0.00000
     34       8.3587     -0.00000
     35       8.4625     -0.00000
     36       8.7324     -0.00000
     37       8.8175     -0.00000
     38       9.1361     -0.00000
     39       9.1372     -0.00000
     40       9.4135     -0.00000
     41      10.0864      0.00000
     42      10.2660      0.00000
     43      10.6288      0.00000
     44      10.8792      0.00000

 k-point    12 :       0.4286    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.1218      2.00000
      2       1.2327      2.00000
      3       1.2671      2.00000
      4       1.3793      2.00000
      5       2.4584      2.00000
      6       2.6181      2.00000
      7       2.8128      2.00000
      8       2.9792      2.00000
      9       3.0706      2.00000
     10       3.1583      2.00000
     11       3.1897      2.00000
     12       3.2823      2.00000
     13       3.2961      2.00000
     14       3.3273      2.00000
     15       3.5159      2.00000
     16       3.5883      2.00000
     17       3.5884      2.00000
     18       3.6805      2.00001
     19       3.7384      2.00005
     20       3.8052      2.00036
     21       5.4044     -0.00000
     22       5.4648     -0.00000
     23       5.5816     -0.00000
     24       5.6565     -0.00000
     25       6.0297     -0.00000
     26       6.1717     -0.00000
     27       6.3808     -0.00000
     28       6.5268     -0.00000
     29       7.4453     -0.00000
     30       7.5875     -0.00000
     31       7.6777     -0.00000
     32       7.8794     -0.00000
     33       7.9125     -0.00000
     34       8.1953     -0.00000
     35       8.2964     -0.00000
     36       8.4932     -0.00000
     37       8.8845     -0.00000
     38       9.1102     -0.00000
     39       9.1661     -0.00000
     40       9.3851     -0.00000
     41      10.3795      0.00000
     42      10.5598      0.00000
     43      10.6243      0.00000
     44      10.8170      0.00000

 k-point    13 :       0.0000    0.0833    0.1500
  band No.  band energies     occupation 
      1       0.8795      2.00000
      2       1.4442      2.00000
      3       1.6881      2.00000
      4       1.9358      2.00000
      5       1.9794      2.00000
      6       2.3894      2.00000
      7       2.4847      2.00000
      8       2.5693      2.00000
      9       2.7195      2.00000
     10       2.8110      2.00000
     11       2.9933      2.00000
     12       3.1997      2.00000
     13       3.2295      2.00000
     14       3.2462      2.00000
     15       3.3585      2.00000
     16       3.6818      2.00001
     17       3.7723      2.00014
     18       3.9210      2.00533
     19       3.9642      2.01193
     20       4.0871      2.05771
     21       5.6667     -0.00000
     22       5.8678     -0.00000
     23       6.0550     -0.00000
     24       6.3328     -0.00000
     25       6.3790     -0.00000
     26       6.4633     -0.00000
     27       6.4863     -0.00000
     28       6.6437     -0.00000
     29       7.0482     -0.00000
     30       7.1095     -0.00000
     31       7.2524     -0.00000
     32       7.3169     -0.00000
     33       8.0354     -0.00000
     34       8.3468     -0.00000
     35       8.7875     -0.00000
     36       8.9147     -0.00000
     37       8.9327     -0.00000
     38       9.4235     -0.00000
     39       9.6626     -0.00000
     40       9.7017     -0.00000
     41       9.8554      0.00000
     42       9.8773      0.00000
     43      10.2525      0.00000
     44      10.3010      0.00000

 k-point    14 :       0.1429    0.0833    0.1500
  band No.  band energies     occupation 
      1       0.8985      2.00000
      2       1.4646      2.00000
      3       1.6455      2.00000
      4       1.7091      2.00000
      5       2.2199      2.00000
      6       2.3326      2.00000
      7       2.4216      2.00000
      8       2.4752      2.00000
      9       2.8589      2.00000
     10       3.0100      2.00000
     11       3.0593      2.00000
     12       3.1028      2.00000
     13       3.2188      2.00000
     14       3.2805      2.00000
     15       3.5038      2.00000
     16       3.5774      2.00000
     17       3.7852      2.00021
     18       3.8795      2.00221
     19       4.0008      2.02153
     20       4.0697      2.04987
     21       5.6099     -0.00000
     22       5.7140     -0.00000
     23       5.9919     -0.00000
     24       6.2330     -0.00000
     25       6.2702     -0.00000
     26       6.3737     -0.00000
     27       6.5882     -0.00000
     28       6.6654     -0.00000
     29       7.0382     -0.00000
     30       7.1150     -0.00000
     31       7.1457     -0.00000
     32       7.3283     -0.00000
     33       8.1980     -0.00000
     34       8.4247     -0.00000
     35       8.7797     -0.00000
     36       8.8778     -0.00000
     37       8.9405     -0.00000
     38       9.4476     -0.00000
     39       9.6883     -0.00000
     40       9.7507     -0.00000
     41       9.7572     -0.00000
     42       9.9542      0.00000
     43      10.4852      0.00000
     44      10.5588      0.00000

 k-point    15 :       0.2857    0.0833    0.1500
  band No.  band energies     occupation 
      1       0.9563      2.00000
      2       1.3949      2.00000
      3       1.5265      2.00000
      4       1.7722      2.00000
      5       1.9775      2.00000
      6       2.2276      2.00000
      7       2.4839      2.00000
      8       2.7651      2.00000
      9       2.8820      2.00000
     10       3.0593      2.00000
     11       3.1998      2.00000
     12       3.2708      2.00000
     13       3.3632      2.00000
     14       3.3910      2.00000
     15       3.4477      2.00000
     16       3.6616      2.00000
     17       3.7269      2.00004
     18       3.8169      2.00048
     19       3.9176      2.00497
     20       4.0320      2.03301
     21       5.3627     -0.00000
     22       5.6677     -0.00000
     23       5.8766     -0.00000
     24       5.8779     -0.00000
     25       6.0250     -0.00000
     26       6.1820     -0.00000
     27       6.6060     -0.00000
     28       6.9170     -0.00000
     29       6.9402     -0.00000
     30       7.0348     -0.00000
     31       7.1675     -0.00000
     32       7.5704     -0.00000
     33       8.2335     -0.00000
     34       8.3119     -0.00000
     35       8.8199     -0.00000
     36       8.9135     -0.00000
     37       8.9492     -0.00000
     38       9.3492     -0.00000
     39       9.7472     -0.00000
     40       9.9474      0.00000
     41       9.9748      0.00000
     42      10.1677      0.00000
     43      10.8044      0.00000
     44      10.9594      0.00000

 k-point    16 :       0.4286    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.0554      2.00000
      2       1.2000      2.00000
      3       1.6312      2.00000
      4       1.7805      2.00000
      5       1.8794      2.00000
      6       2.0304      2.00000
      7       2.5813      2.00000
      8       2.7157      2.00000
      9       3.1281      2.00000
     10       3.2227      2.00000
     11       3.2603      2.00000
     12       3.4196      2.00000
     13       3.4736      2.00000
     14       3.5360      2.00000
     15       3.5561      2.00000
     16       3.5631      2.00000
     17       3.7084      2.00002
     18       3.7806      2.00018
     19       3.7837      2.00020
     20       3.8370      2.00081
     21       5.3345     -0.00000
     22       5.5492     -0.00000
     23       5.6244     -0.00000
     24       5.6897     -0.00000
     25       5.8828     -0.00000
     26       6.0769     -0.00000
     27       6.6396     -0.00000
     28       6.7729     -0.00000
     29       7.0116     -0.00000
     30       7.0572     -0.00000
     31       7.4887     -0.00000
     32       7.8288     -0.00000
     33       7.9096     -0.00000
     34       8.0674     -0.00000
     35       8.9513     -0.00000
     36       9.0050     -0.00000
     37       9.0513     -0.00000
     38       9.2143     -0.00000
     39       9.7532     -0.00000
     40       9.9325      0.00000
     41      10.2272      0.00000
     42      10.3244      0.00000
     43      11.0440      0.00000
     44      11.1548      0.00000

 k-point    17 :       0.0000    0.2500    0.1500
  band No.  band energies     occupation 
      1       0.9145      2.00000
      2       1.2477      2.00000
      3       1.9688      2.00000
      4       1.9760      2.00000
      5       2.0173      2.00000
      6       2.2806      2.00000
      7       2.3762      2.00000
      8       2.4548      2.00000
      9       2.8174      2.00000
     10       2.9776      2.00000
     11       2.9894      2.00000
     12       3.0737      2.00000
     13       3.2773      2.00000
     14       3.4205      2.00000
     15       3.4237      2.00000
     16       3.5901      2.00000
     17       3.7611      2.00010
     18       3.7934      2.00026
     19       3.8528      2.00119
     20       3.9582      2.01075
     21       5.7460     -0.00000
     22       5.8894     -0.00000
     23       5.9684     -0.00000
     24       6.2119     -0.00000
     25       6.3868     -0.00000
     26       6.4979     -0.00000
     27       6.5588     -0.00000
     28       6.6657     -0.00000
     29       7.2763     -0.00000
     30       7.2814     -0.00000
     31       7.3592     -0.00000
     32       7.4818     -0.00000
     33       8.0601     -0.00000
     34       8.1858     -0.00000
     35       8.6170     -0.00000
     36       8.7835     -0.00000
     37       9.0710     -0.00000
     38       9.2734     -0.00000
     39       9.4899     -0.00000
     40       9.5782     -0.00000
     41       9.6801     -0.00000
     42      10.1826      0.00000
     43      10.2193      0.00000
     44      10.7647      0.00000

 k-point    18 :       0.1429    0.2500    0.1500
  band No.  band energies     occupation 
      1       0.9336      2.00000
      2       1.2677      2.00000
      3       1.6817      2.00000
      4       1.9902      2.00000
      5       2.0327      2.00000
      6       2.3654      2.00000
      7       2.4658      2.00000
      8       2.6885      2.00000
      9       2.7562      2.00000
     10       2.8369      2.00000
     11       3.0166      2.00000
     12       3.1199      2.00000
     13       3.3140      2.00000
     14       3.4149      2.00000
     15       3.5061      2.00000
     16       3.5619      2.00000
     17       3.7121      2.00002
     18       3.7774      2.00017
     19       3.8892      2.00274
     20       4.0141      2.02604
     21       5.6430     -0.00000
     22       5.8391     -0.00000
     23       5.8778     -0.00000
     24       6.1092     -0.00000
     25       6.2055     -0.00000
     26       6.4913     -0.00000
     27       6.5308     -0.00000
     28       6.7829     -0.00000
     29       7.1438     -0.00000
     30       7.2612     -0.00000
     31       7.3849     -0.00000
     32       7.4729     -0.00000
     33       8.2389     -0.00000
     34       8.2407     -0.00000
     35       8.7095     -0.00000
     36       8.7647     -0.00000
     37       9.0482     -0.00000
     38       9.2531     -0.00000
     39       9.4764     -0.00000
     40       9.5945     -0.00000
     41       9.7581     -0.00000
     42      10.2554      0.00000
     43      10.3831      0.00000
     44      10.7926      0.00000

 k-point    19 :       0.2857    0.2500    0.1500
  band No.  band energies     occupation 
      1       0.9917      2.00000
      2       1.3282      2.00000
      3       1.4314      2.00000
      4       1.7755      2.00000
      5       2.0654      2.00000
      6       2.5131      2.00000
      7       2.5347      2.00000
      8       2.7884      2.00000
      9       2.8952      2.00000
     10       2.9311      2.00000
     11       3.0689      2.00000
     12       3.0974      2.00000
     13       3.2826      2.00000
     14       3.5204      2.00000
     15       3.5363      2.00000
     16       3.5568      2.00000
     17       3.7100      2.00002
     18       3.8198      2.00052
     19       3.8613      2.00145
     20       4.0247      2.03006
     21       5.3846     -0.00000
     22       5.7153     -0.00000
     23       5.8064     -0.00000
     24       5.8686     -0.00000
     25       5.9209     -0.00000
     26       6.4123     -0.00000
     27       6.4332     -0.00000
     28       6.9140     -0.00000
     29       7.0443     -0.00000
     30       7.2826     -0.00000
     31       7.4800     -0.00000
     32       7.5612     -0.00000
     33       8.2057     -0.00000
     34       8.3218     -0.00000
     35       8.7264     -0.00000
     36       8.7708     -0.00000
     37       9.1208     -0.00000
     38       9.1513     -0.00000
     39       9.5002     -0.00000
     40       9.8460      0.00000
     41       9.9502      0.00000
     42      10.3825      0.00000
     43      10.6077      0.00000
     44      10.9587      0.00000

 k-point    20 :       0.4286    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.0912      2.00000
      2       1.2362      2.00000
      3       1.4311      2.00000
      4       1.5792      2.00000
      5       2.1736      2.00000
      6       2.3256      2.00000
      7       2.6258      2.00000
      8       2.7641      2.00000
      9       2.9835      2.00000
     10       3.1065      2.00000
     11       3.1950      2.00000
     12       3.3028      2.00000
     13       3.3660      2.00000
     14       3.4192      2.00000
     15       3.6021      2.00000
     16       3.6183      2.00000
     17       3.7055      2.00002
     18       3.7986      2.00030
     19       3.8420      2.00091
     20       3.8440      2.00096
     21       5.3059     -0.00000
     22       5.5706     -0.00000
     23       5.5810     -0.00000
     24       5.6609     -0.00000
     25       5.9527     -0.00000
     26       6.2678     -0.00000
     27       6.4961     -0.00000
     28       6.6781     -0.00000
     29       7.1737     -0.00000
     30       7.3238     -0.00000
     31       7.6798     -0.00000
     32       7.7791     -0.00000
     33       8.0397     -0.00000
     34       8.0492     -0.00000
     35       8.8232     -0.00000
     36       8.8915     -0.00000
     37       9.0368     -0.00000
     38       9.1856     -0.00000
     39       9.4664     -0.00000
     40       9.9045      0.00000
     41      10.1943      0.00000
     42      10.3768      0.00000
     43      10.9555      0.00000
     44      11.0664      0.00000

 k-point    21 :       0.0000    0.4167    0.1500
  band No.  band energies     occupation 
      1       0.9859      2.00000
      2       1.0960      2.00000
      3       2.0362      2.00000
      4       2.0930      2.00000
      5       2.1400      2.00000
      6       2.1959      2.00000
      7       2.3297      2.00000
      8       2.5359      2.00000
      9       2.6592      2.00000
     10       2.6664      2.00000
     11       3.2429      2.00000
     12       3.3483      2.00000
     13       3.3859      2.00000
     14       3.4214      2.00000
     15       3.5546      2.00000
     16       3.5587      2.00000
     17       3.5954      2.00000
     18       3.6801      2.00001
     19       3.7226      2.00003
     20       3.7499      2.00007
     21       5.8183     -0.00000
     22       5.9529     -0.00000
     23       5.9875     -0.00000
     24       6.1129     -0.00000
     25       6.2499     -0.00000
     26       6.2604     -0.00000
     27       6.8561     -0.00000
     28       7.0100     -0.00000
     29       7.1336     -0.00000
     30       7.2811     -0.00000
     31       7.6098     -0.00000
     32       7.9243     -0.00000
     33       7.9732     -0.00000
     34       8.2462     -0.00000
     35       8.2894     -0.00000
     36       8.8656     -0.00000
     37       8.9772     -0.00000
     38       9.0457     -0.00000
     39       9.2626     -0.00000
     40       9.4203     -0.00000
     41       9.7828     -0.00000
     42       9.9229      0.00000
     43      10.5901      0.00000
     44      10.7850      0.00000

 k-point    22 :       0.1429    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.0052      2.00000
      2       1.1155      2.00000
      3       1.7552      2.00000
      4       1.8679      2.00000
      5       2.3256      2.00000
      6       2.4283      2.00000
      7       2.5286      2.00000
      8       2.5781      2.00000
      9       2.6740      2.00000
     10       2.7015      2.00000
     11       3.0640      2.00000
     12       3.2212      2.00000
     13       3.3058      2.00000
     14       3.4290      2.00000
     15       3.5316      2.00000
     16       3.6146      2.00000
     17       3.6653      2.00001
     18       3.7363      2.00005
     19       3.7620      2.00011
     20       3.8771      2.00209
     21       5.7649     -0.00000
     22       5.8561     -0.00000
     23       5.8986     -0.00000
     24       6.0427     -0.00000
     25       6.0488     -0.00000
     26       6.2535     -0.00000
     27       6.8177     -0.00000
     28       7.0542     -0.00000
     29       7.0734     -0.00000
     30       7.3009     -0.00000
     31       7.5823     -0.00000
     32       7.9244     -0.00000
     33       8.0064     -0.00000
     34       8.3942     -0.00000
     35       8.4365     -0.00000
     36       8.8397     -0.00000
     37       8.9469     -0.00000
     38       9.0494     -0.00000
     39       9.2637     -0.00000
     40       9.4508     -0.00000
     41       9.8602      0.00000
     42      10.0326      0.00000
     43      10.5968      0.00000
     44      10.8097      0.00000

 k-point    23 :       0.2857    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.0638      2.00000
      2       1.1750      2.00000
      3       1.5054      2.00000
      4       1.6193      2.00000
      5       2.3960      2.00000
      6       2.6125      2.00000
      7       2.7244      2.00000
      8       2.7423      2.00000
      9       2.8481      2.00000
     10       2.8893      2.00000
     11       2.9569      2.00000
     12       3.0289      2.00000
     13       3.1267      2.00000
     14       3.2304      2.00000
     15       3.6630      2.00000
     16       3.6647      2.00000
     17       3.7487      2.00007
     18       3.7948      2.00027
     19       3.8595      2.00139
     20       3.9541      2.00999
     21       5.5181     -0.00000
     22       5.6817     -0.00000
     23       5.6883     -0.00000
     24       5.7616     -0.00000
     25       6.0382     -0.00000
     26       6.2228     -0.00000
     27       6.6483     -0.00000
     28       6.8257     -0.00000
     29       7.2642     -0.00000
     30       7.4595     -0.00000
     31       7.6428     -0.00000
     32       7.9579     -0.00000
     33       7.9785     -0.00000
     34       8.3984     -0.00000
     35       8.5511     -0.00000
     36       8.8138     -0.00000
     37       8.8867     -0.00000
     38       9.0745     -0.00000
     39       9.3640     -0.00000
     40       9.6253     -0.00000
     41      10.0474      0.00000
     42      10.2766      0.00000
     43      10.5822      0.00000
     44      10.8514      0.00000

 k-point    24 :       0.4286    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.1641      2.00000
      2       1.2764      2.00000
      3       1.3098      2.00000
      4       1.4232      2.00000
      5       2.5070      2.00000
      6       2.6562      2.00000
      7       2.7159      2.00000
      8       2.8230      2.00000
      9       2.8605      2.00000
     10       2.8683      2.00000
     11       2.9668      2.00000
     12       3.0482      2.00000
     13       3.3157      2.00000
     14       3.3622      2.00000
     15       3.6463      2.00000
     16       3.6707      2.00001
     17       3.7494      2.00007
     18       3.7963      2.00028
     19       3.8600      2.00141
     20       3.8721      2.00187
     21       5.3820     -0.00000
     22       5.5054     -0.00000
     23       5.5436     -0.00000
     24       5.5823     -0.00000
     25       6.1487     -0.00000
     26       6.3240     -0.00000
     27       6.4213     -0.00000
     28       6.5487     -0.00000
     29       7.4197     -0.00000
     30       7.6407     -0.00000
     31       7.6640     -0.00000
     32       7.9203     -0.00000
     33       8.0616     -0.00000
     34       8.3354     -0.00000
     35       8.4887     -0.00000
     36       8.7170     -0.00000
     37       8.9246     -0.00000
     38       9.1240     -0.00000
     39       9.3937     -0.00000
     40       9.6749     -0.00000
     41      10.2992      0.00000
     42      10.4914      0.00000
     43      10.5816      0.00000
     44      10.7891      0.00000

 k-point    25 :       0.0000    0.0833    0.2500
  band No.  band energies     occupation 
      1       0.9602      2.00000
      2       1.5397      2.00000
      3       1.7891      2.00000
      4       2.0189      2.00000
      5       2.0399      2.00000
      6       2.0649      2.00000
      7       2.5521      2.00000
      8       2.6553      2.00000
      9       2.6977      2.00000
     10       2.7716      2.00000
     11       2.8818      2.00000
     12       2.9687      2.00000
     13       3.0589      2.00000
     14       3.0981      2.00000
     15       3.3320      2.00000
     16       3.5355      2.00000
     17       3.6601      2.00000
     18       3.7378      2.00005
     19       3.8056      2.00036
     20       4.1608      2.06568
     21       5.9975     -0.00000
     22       6.0808     -0.00000
     23       6.1705     -0.00000
     24       6.4926     -0.00000
     25       6.7800     -0.00000
     26       6.8935     -0.00000
     27       6.9027     -0.00000
     28       6.9639     -0.00000
     29       7.1511     -0.00000
     30       7.1619     -0.00000
     31       7.2632     -0.00000
     32       7.2718     -0.00000
     33       8.0346     -0.00000
     34       8.4642     -0.00000
     35       8.4833     -0.00000
     36       8.9885     -0.00000
     37       9.1128     -0.00000
     38       9.4363     -0.00000
     39       9.5169     -0.00000
     40       9.5960     -0.00000
     41       9.7008     -0.00000
     42       9.9070      0.00000
     43      10.0674      0.00000
     44      10.1926      0.00000

 k-point    26 :       0.1429    0.0833    0.2500
  band No.  band energies     occupation 
      1       0.9793      2.00000
      2       1.5600      2.00000
      3       1.7301      2.00000
      4       1.8095      2.00000
      5       2.0604      2.00000
      6       2.3099      2.00000
      7       2.4131      2.00000
      8       2.5462      2.00000
      9       2.7181      2.00000
     10       2.8000      2.00000
     11       2.9382      2.00000
     12       2.9896      2.00000
     13       3.1358      2.00000
     14       3.3308      2.00000
     15       3.3752      2.00000
     16       3.3954      2.00000
     17       3.6356      2.00000
     18       3.8195      2.00052
     19       3.8380      2.00083
     20       4.1642      2.06396
     21       5.8713     -0.00000
     22       6.0226     -0.00000
     23       6.0277     -0.00000
     24       6.3988     -0.00000
     25       6.5509     -0.00000
     26       6.8113     -0.00000
     27       6.8614     -0.00000
     28       6.9733     -0.00000
     29       7.0978     -0.00000
     30       7.1493     -0.00000
     31       7.2104     -0.00000
     32       7.4371     -0.00000
     33       8.1829     -0.00000
     34       8.4232     -0.00000
     35       8.6172     -0.00000
     36       8.9071     -0.00000
     37       9.0970     -0.00000
     38       9.3277     -0.00000
     39       9.6202     -0.00000
     40       9.6511     -0.00000
     41       9.8376     -0.00000
     42      10.0779      0.00000
     43      10.2700      0.00000
     44      10.4207      0.00000

 k-point    27 :       0.2857    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.0377      2.00000
      2       1.4791      2.00000
      3       1.6215      2.00000
      4       1.8710      2.00000
      5       2.0664      2.00000
      6       2.1248      2.00000
      7       2.3133      2.00000
      8       2.5679      2.00000
      9       2.7558      2.00000
     10       2.8538      2.00000
     11       3.0459      2.00000
     12       3.1752      2.00000
     13       3.2695      2.00000
     14       3.4185      2.00000
     15       3.4359      2.00000
     16       3.4889      2.00000
     17       3.6687      2.00001
     18       3.7857      2.00021
     19       3.9340      2.00688
     20       4.1571      2.06724
     21       5.5116     -0.00000
     22       5.8670     -0.00000
     23       5.8982     -0.00000
     24       6.1070     -0.00000
     25       6.3210     -0.00000
     26       6.5875     -0.00000
     27       6.7621     -0.00000
     28       6.7683     -0.00000
     29       7.0923     -0.00000
     30       7.1591     -0.00000
     31       7.3472     -0.00000
     32       7.6489     -0.00000
     33       8.1836     -0.00000
     34       8.1923     -0.00000
     35       8.8920     -0.00000
     36       8.9749     -0.00000
     37       9.1762     -0.00000
     38       9.3518     -0.00000
     39       9.6938     -0.00000
     40       9.8772      0.00000
     41      10.0849      0.00000
     42      10.3641      0.00000
     43      10.5611      0.00000
     44      10.7977      0.00000

 k-point    28 :       0.4286    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.1376      2.00000
      2       1.2832      2.00000
      3       1.7252      2.00000
      4       1.8733      2.00000
      5       1.9747      2.00000
      6       2.1206      2.00000
      7       2.2297      2.00000
      8       2.3769      2.00000
      9       2.8557      2.00000
     10       2.9820      2.00000
     11       3.1646      2.00000
     12       3.2706      2.00000
     13       3.3657      2.00000
     14       3.5314      2.00000
     15       3.5555      2.00000
     16       3.5907      2.00000
     17       3.6770      2.00001
     18       3.7657      2.00012
     19       3.9204      2.00527
     20       4.0900      2.05895
     21       5.4230     -0.00000
     22       5.6516     -0.00000
     23       5.7196     -0.00000
     24       5.7872     -0.00000
     25       6.3889     -0.00000
     26       6.4469     -0.00000
     27       6.5177     -0.00000
     28       6.6578     -0.00000
     29       7.1309     -0.00000
     30       7.1808     -0.00000
     31       7.5781     -0.00000
     32       7.7900     -0.00000
     33       7.9223     -0.00000
     34       7.9554     -0.00000
     35       9.1631     -0.00000
     36       9.2078     -0.00000
     37       9.2796     -0.00000
     38       9.3886     -0.00000
     39       9.7510     -0.00000
     40      10.0745      0.00000
     41      10.1329      0.00000
     42      10.2053      0.00000
     43      10.9203      0.00000
     44      11.0757      0.00000

 k-point    29 :       0.0000    0.2500    0.2500
  band No.  band energies     occupation 
      1       0.9963      2.00000
      2       1.3386      2.00000
      3       2.0530      2.00000
      4       2.0830      2.00000
      5       2.0836      2.00000
      6       2.1036      2.00000
      7       2.3731      2.00000
      8       2.4640      2.00000
      9       2.4812      2.00000
     10       2.9690      2.00000
     11       3.0852      2.00000
     12       3.1149      2.00000
     13       3.1523      2.00000
     14       3.1980      2.00000
     15       3.2450      2.00000
     16       3.4126      2.00000
     17       3.5240      2.00000
     18       3.7228      2.00003
     19       3.7768      2.00016
     20       4.0604      2.04555
     21       5.9465     -0.00000
     22       6.0132     -0.00000
     23       6.1932     -0.00000
     24       6.2349     -0.00000
     25       6.7611     -0.00000
     26       6.7724     -0.00000
     27       6.8896     -0.00000
     28       7.1988     -0.00000
     29       7.2503     -0.00000
     30       7.4310     -0.00000
     31       7.4874     -0.00000
     32       7.4906     -0.00000
     33       8.0697     -0.00000
     34       8.2683     -0.00000
     35       8.4456     -0.00000
     36       8.9278     -0.00000
     37       9.2536     -0.00000
     38       9.2663     -0.00000
     39       9.4930     -0.00000
     40       9.5300     -0.00000
     41       9.7613     -0.00000
     42      10.0053      0.00000
     43      10.0749      0.00000
     44      10.4508      0.00000

 k-point    30 :       0.1429    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.0156      2.00000
      2       1.3586      2.00000
      3       1.7673      2.00000
      4       2.0845      2.00000
      5       2.1134      2.00000
      6       2.1256      2.00000
      7       2.4459      2.00000
      8       2.5039      2.00000
      9       2.7643      2.00000
     10       2.7742      2.00000
     11       2.9014      2.00000
     12       3.1255      2.00000
     13       3.2096      2.00000
     14       3.2930      2.00000
     15       3.3033      2.00000
     16       3.4589      2.00000
     17       3.6302      2.00000
     18       3.7319      2.00004
     19       3.7832      2.00020
     20       4.0679      2.04902
     21       5.8410     -0.00000
     22       5.8963     -0.00000
     23       6.0895     -0.00000
     24       6.2331     -0.00000
     25       6.4412     -0.00000
     26       6.6841     -0.00000
     27       6.8949     -0.00000
     28       7.1459     -0.00000
     29       7.2183     -0.00000
     30       7.4264     -0.00000
     31       7.5299     -0.00000
     32       7.5325     -0.00000
     33       8.2667     -0.00000
     34       8.3286     -0.00000
     35       8.5103     -0.00000
     36       8.8943     -0.00000
     37       9.1440     -0.00000
     38       9.2411     -0.00000
     39       9.5461     -0.00000
     40       9.6372     -0.00000
     41       9.8595      0.00000
     42      10.1649      0.00000
     43      10.2676      0.00000
     44      10.5220      0.00000

 k-point    31 :       0.2857    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.0741      2.00000
      2       1.4191      2.00000
      3       1.5164      2.00000
      4       1.8659      2.00000
      5       2.1479      2.00000
      6       2.1879      2.00000
      7       2.5565      2.00000
      8       2.5611      2.00000
      9       2.6612      2.00000
     10       2.8634      2.00000
     11       2.9849      2.00000
     12       3.1414      2.00000
     13       3.2190      2.00000
     14       3.3418      2.00000
     15       3.5325      2.00000
     16       3.5544      2.00000
     17       3.6646      2.00000
     18       3.7221      2.00003
     19       3.8999      2.00345
     20       4.0755      2.05251
     21       5.4833     -0.00000
     22       5.7628     -0.00000
     23       5.8925     -0.00000
     24       5.9771     -0.00000
     25       6.2695     -0.00000
     26       6.4853     -0.00000
     27       6.8551     -0.00000
     28       6.8690     -0.00000
     29       7.2678     -0.00000
     30       7.3972     -0.00000
     31       7.6022     -0.00000
     32       7.6844     -0.00000
     33       8.2020     -0.00000
     34       8.3463     -0.00000
     35       8.7260     -0.00000
     36       8.9708     -0.00000
     37       9.2084     -0.00000
     38       9.3471     -0.00000
     39       9.5740     -0.00000
     40       9.8007     -0.00000
     41      10.1154      0.00000
     42      10.2884      0.00000
     43      10.5687      0.00000
     44      10.7577      0.00000

 k-point    32 :       0.4286    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.1745      2.00000
      2       1.3203      2.00000
      3       1.5220      2.00000
      4       1.6701      2.00000
      5       2.2410      2.00000
      6       2.3002      2.00000
      7       2.3797      2.00000
      8       2.4656      2.00000
      9       2.6606      2.00000
     10       2.8068      2.00000
     11       3.2511      2.00000
     12       3.3370      2.00000
     13       3.4146      2.00000
     14       3.4693      2.00000
     15       3.4736      2.00000
     16       3.5640      2.00000
     17       3.6280      2.00000
     18       3.7889      2.00023
     19       3.9183      2.00505
     20       4.0378      2.03545
     21       5.3521     -0.00000
     22       5.6254     -0.00000
     23       5.6476     -0.00000
     24       5.6686     -0.00000
     25       6.3367     -0.00000
     26       6.4272     -0.00000
     27       6.5654     -0.00000
     28       6.8090     -0.00000
     29       7.2834     -0.00000
     30       7.4154     -0.00000
     31       7.7299     -0.00000
     32       7.8003     -0.00000
     33       7.9914     -0.00000
     34       8.1797     -0.00000
     35       9.0383     -0.00000
     36       9.1388     -0.00000
     37       9.2721     -0.00000
     38       9.4581     -0.00000
     39       9.5288     -0.00000
     40       9.9822      0.00000
     41      10.2367      0.00000
     42      10.2419      0.00000
     43      10.6787      0.00000
     44      10.8720      0.00000

 k-point    33 :       0.0000    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.0698      2.00000
      2       1.1829      2.00000
      3       2.1219      2.00000
      4       2.1700      2.00000
      5       2.1809      2.00000
      6       2.2308      2.00000
      7       2.2892      2.00000
      8       2.3051      2.00000
      9       2.4372      2.00000
     10       2.7848      2.00000
     11       3.1082      2.00000
     12       3.2163      2.00000
     13       3.2404      2.00000
     14       3.3581      2.00000
     15       3.3619      2.00000
     16       3.4236      2.00000
     17       3.5273      2.00000
     18       3.6317      2.00000
     19       3.6403      2.00000
     20       3.8584      2.00136
     21       5.8866     -0.00000
     22       5.9689     -0.00000
     23       6.1713     -0.00000
     24       6.3829     -0.00000
     25       6.4452     -0.00000
     26       6.5825     -0.00000
     27       7.0338     -0.00000
     28       7.1701     -0.00000
     29       7.4396     -0.00000
     30       7.5390     -0.00000
     31       7.8652     -0.00000
     32       7.9267     -0.00000
     33       8.0498     -0.00000
     34       8.2708     -0.00000
     35       8.3627     -0.00000
     36       8.9581     -0.00000
     37       9.0266     -0.00000
     38       9.1021     -0.00000
     39       9.3947     -0.00000
     40       9.4995     -0.00000
     41       9.6462     -0.00000
     42       9.7937     -0.00000
     43      10.5372      0.00000
     44      10.7538      0.00000

 k-point    34 :       0.1429    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.0892      2.00000
      2       1.2026      2.00000
      3       1.8423      2.00000
      4       1.9565      2.00000
      5       2.1931      2.00000
      6       2.3254      2.00000
      7       2.4367      2.00000
      8       2.5141      2.00000
      9       2.6360      2.00000
     10       2.8098      2.00000
     11       2.9063      2.00000
     12       3.0473      2.00000
     13       3.1556      2.00000
     14       3.4253      2.00000
     15       3.4347      2.00000
     16       3.5444      2.00000
     17       3.6073      2.00000
     18       3.6233      2.00000
     19       3.7435      2.00006
     20       3.8739      2.00194
     21       5.8345     -0.00000
     22       5.8907     -0.00000
     23       5.9872     -0.00000
     24       6.2019     -0.00000
     25       6.3551     -0.00000
     26       6.5104     -0.00000
     27       7.0111     -0.00000
     28       7.1149     -0.00000
     29       7.4353     -0.00000
     30       7.5614     -0.00000
     31       7.8131     -0.00000
     32       7.9856     -0.00000
     33       8.1052     -0.00000
     34       8.3333     -0.00000
     35       8.5483     -0.00000
     36       8.9267     -0.00000
     37       8.9894     -0.00000
     38       9.1375     -0.00000
     39       9.4195     -0.00000
     40       9.5913     -0.00000
     41       9.7469     -0.00000
     42       9.9450      0.00000
     43      10.5256      0.00000
     44      10.7227      0.00000

 k-point    35 :       0.2857    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.1483      2.00000
      2       1.2623      2.00000
      3       1.5921      2.00000
      4       1.7080      2.00000
      5       2.2533      2.00000
      6       2.3867      2.00000
      7       2.5043      2.00000
      8       2.6873      2.00000
      9       2.7967      2.00000
     10       2.8651      2.00000
     11       2.9462      2.00000
     12       2.9671      2.00000
     13       3.0321      2.00000
     14       3.2730      2.00000
     15       3.6243      2.00000
     16       3.6292      2.00000
     17       3.6983      2.00002
     18       3.7775      2.00017
     19       3.8523      2.00117
     20       3.9130      2.00454
     21       5.5597     -0.00000
     22       5.6842     -0.00000
     23       5.7725     -0.00000
     24       5.7815     -0.00000
     25       6.3452     -0.00000
     26       6.4106     -0.00000
     27       6.8965     -0.00000
     28       6.8968     -0.00000
     29       7.4853     -0.00000
     30       7.6486     -0.00000
     31       7.8014     -0.00000
     32       8.0154     -0.00000
     33       8.0974     -0.00000
     34       8.4267     -0.00000
     35       8.6643     -0.00000
     36       9.0167     -0.00000
     37       9.0246     -0.00000
     38       9.2134     -0.00000
     39       9.5881     -0.00000
     40       9.8216     -0.00000
     41       9.8935      0.00000
     42      10.1998      0.00000
     43      10.4786      0.00000
     44      10.7690      0.00000

 k-point    36 :       0.4286    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.2493      2.00000
      2       1.3642      2.00000
      3       1.3958      2.00000
      4       1.5116      2.00000
      5       2.3539      2.00000
      6       2.4880      2.00000
      7       2.4937      2.00000
      8       2.6228      2.00000
      9       2.6344      2.00000
     10       2.7686      2.00000
     11       2.9727      2.00000
     12       3.1140      2.00000
     13       3.3609      2.00000
     14       3.4130      2.00000
     15       3.6400      2.00000
     16       3.6532      2.00000
     17       3.6924      2.00001
     18       3.8442      2.00096
     19       3.8658      2.00162
     20       3.9365      2.00722
     21       5.3617     -0.00000
     22       5.4823     -0.00000
     23       5.5611     -0.00000
     24       5.5777     -0.00000
     25       6.3828     -0.00000
     26       6.4189     -0.00000
     27       6.6478     -0.00000
     28       6.7581     -0.00000
     29       7.5364     -0.00000
     30       7.7335     -0.00000
     31       7.7416     -0.00000
     32       7.9450     -0.00000
     33       8.1633     -0.00000
     34       8.5398     -0.00000
     35       8.6933     -0.00000
     36       8.9353     -0.00000
     37       9.1879     -0.00000
     38       9.3054     -0.00000
     39       9.6730     -0.00000
     40       9.9382      0.00000
     41      10.1086      0.00000
     42      10.3506      0.00000
     43      10.4712      0.00000
     44      10.6839      0.00000

 k-point    37 :       0.0000    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.0830      2.00000
      2       1.6831      2.00000
      3       1.7265      2.00000
      4       1.9391      2.00000
      5       2.1413      2.00000
      6       2.1901      2.00000
      7       2.3968      2.00000
      8       2.6504      2.00000
      9       2.6718      2.00000
     10       2.7650      2.00000
     11       2.7675      2.00000
     12       2.8144      2.00000
     13       2.9885      2.00000
     14       3.0132      2.00000
     15       3.3288      2.00000
     16       3.3433      2.00000
     17       3.5188      2.00000
     18       3.5312      2.00000
     19       3.5926      2.00000
     20       4.2849      1.72201
     21       6.0196     -0.00000
     22       6.3603     -0.00000
     23       6.4276     -0.00000
     24       6.9608     -0.00000
     25       7.0272     -0.00000
     26       7.1172     -0.00000
     27       7.1354     -0.00000
     28       7.1979     -0.00000
     29       7.3274     -0.00000
     30       7.3978     -0.00000
     31       7.4641     -0.00000
     32       7.7530     -0.00000
     33       8.0126     -0.00000
     34       8.0827     -0.00000
     35       8.4601     -0.00000
     36       9.0715     -0.00000
     37       9.2181     -0.00000
     38       9.2379     -0.00000
     39       9.3449     -0.00000
     40       9.3935     -0.00000
     41       9.5341     -0.00000
     42       9.5815     -0.00000
     43       9.8674      0.00000
     44      10.5453      0.00000

 k-point    38 :       0.1429    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.1024      2.00000
      2       1.7020      2.00000
      3       1.7478      2.00000
      4       1.8571      2.00000
      5       1.9597      2.00000
      6       2.4041      2.00000
      7       2.4237      2.00000
      8       2.5075      2.00000
      9       2.5369      2.00000
     10       2.6992      2.00000
     11       2.7050      2.00000
     12       3.0338      2.00000
     13       3.1014      2.00000
     14       3.1231      2.00000
     15       3.3023      2.00000
     16       3.3426      2.00000
     17       3.5207      2.00000
     18       3.6474      2.00000
     19       3.6999      2.00002
     20       4.2859      1.71630
     21       5.9587     -0.00000
     22       6.0831     -0.00000
     23       6.3004     -0.00000
     24       6.6996     -0.00000
     25       6.7754     -0.00000
     26       7.0325     -0.00000
     27       7.1473     -0.00000
     28       7.1574     -0.00000
     29       7.2744     -0.00000
     30       7.4938     -0.00000
     31       7.4950     -0.00000
     32       7.7254     -0.00000
     33       8.1913     -0.00000
     34       8.3188     -0.00000
     35       8.5277     -0.00000
     36       8.9260     -0.00000
     37       9.0505     -0.00000
     38       9.2835     -0.00000
     39       9.4089     -0.00000
     40       9.5482     -0.00000
     41       9.7457     -0.00000
     42       9.7542     -0.00000
     43      10.1263      0.00000
     44      10.4938      0.00000

 k-point    39 :       0.2857    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.1614      2.00000
      2       1.6060      2.00000
      3       1.7598      2.00000
      4       1.8112      2.00000
      5       2.0213      2.00000
      6       2.1911      2.00000
      7       2.2663      2.00000
      8       2.4672      2.00000
      9       2.4711      2.00000
     10       2.7325      2.00000
     11       2.8815      2.00000
     12       2.9756      2.00000
     13       3.1704      2.00000
     14       3.3458      2.00000
     15       3.4250      2.00000
     16       3.5969      2.00000
     17       3.6270      2.00000
     18       3.7391      2.00005
     19       3.8519      2.00116
     20       4.2671      1.81495
     21       5.6370     -0.00000
     22       5.8067     -0.00000
     23       6.0039     -0.00000
     24       6.1908     -0.00000
     25       6.6946     -0.00000
     26       6.7196     -0.00000
     27       6.7805     -0.00000
     28       7.1153     -0.00000
     29       7.3557     -0.00000
     30       7.5841     -0.00000
     31       7.6234     -0.00000
     32       7.7634     -0.00000
     33       8.0911     -0.00000
     34       8.3005     -0.00000
     35       8.9240     -0.00000
     36       9.0354     -0.00000
     37       9.2081     -0.00000
     38       9.2940     -0.00000
     39       9.4661     -0.00000
     40       9.8202     -0.00000
     41      10.0707      0.00000
     42      10.1156      0.00000
     43      10.2969      0.00000
     44      10.6170      0.00000

 k-point    40 :       0.4286    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.2624      2.00000
      2       1.4091      2.00000
      3       1.8581      2.00000
      4       1.9161      2.00000
      5       2.0011      2.00000
      6       2.0684      2.00000
      7       2.1318      2.00000
      8       2.2792      2.00000
      9       2.5639      2.00000
     10       2.7008      2.00000
     11       2.8496      2.00000
     12       2.9848      2.00000
     13       3.4124      2.00000
     14       3.5799      2.00000
     15       3.6144      2.00000
     16       3.6483      2.00000
     17       3.7480      2.00007
     18       3.8128      2.00043
     19       3.9391      2.00758
     20       4.1673      2.06210
     21       5.4634     -0.00000
     22       5.6697     -0.00000
     23       5.6909     -0.00000
     24       5.8108     -0.00000
     25       6.5158     -0.00000
     26       6.5441     -0.00000
     27       6.7418     -0.00000
     28       7.0019     -0.00000
     29       7.4086     -0.00000
     30       7.5285     -0.00000
     31       7.7247     -0.00000
     32       7.8680     -0.00000
     33       7.8878     -0.00000
     34       8.2031     -0.00000
     35       9.1474     -0.00000
     36       9.2677     -0.00000
     37       9.2979     -0.00000
     38       9.4228     -0.00000
     39       9.5991     -0.00000
     40      10.0299      0.00000
     41      10.0421      0.00000
     42      10.2281      0.00000
     43      10.6776      0.00000
     44      10.9725      0.00000

 k-point    41 :       0.0000    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.1207      2.00000
      2       1.4756      2.00000
      3       1.7697      2.00000
      4       2.1536      2.00000
      5       2.1936      2.00000
      6       2.2299      2.00000
      7       2.2397      2.00000
      8       2.4987      2.00000
      9       2.5927      2.00000
     10       2.8103      2.00000
     11       2.8493      2.00000
     12       2.9854      2.00000
     13       3.1592      2.00000
     14       3.1847      2.00000
     15       3.1879      2.00000
     16       3.2381      2.00000
     17       3.3726      2.00000
     18       3.5923      2.00000
     19       3.6056      2.00000
     20       4.0736      2.05165
     21       6.0298     -0.00000
     22       6.2669     -0.00000
     23       6.4093     -0.00000
     24       6.6906     -0.00000
     25       6.8852     -0.00000
     26       6.9972     -0.00000
     27       7.2708     -0.00000
     28       7.4179     -0.00000
     29       7.4444     -0.00000
     30       7.4761     -0.00000
     31       7.5023     -0.00000
     32       7.9862     -0.00000
     33       8.0683     -0.00000
     34       8.0824     -0.00000
     35       8.6629     -0.00000
     36       8.9240     -0.00000
     37       9.1615     -0.00000
     38       9.2845     -0.00000
     39       9.3527     -0.00000
     40       9.4749     -0.00000
     41       9.7587     -0.00000
     42       9.9094      0.00000
     43       9.9129      0.00000
     44      10.5880      0.00000

 k-point    42 :       0.1429    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.1402      2.00000
      2       1.4956      2.00000
      3       1.7898      2.00000
      4       1.8956      2.00000
      5       2.1865      2.00000
      6       2.2393      2.00000
      7       2.2677      2.00000
      8       2.5425      2.00000
      9       2.5679      2.00000
     10       2.8847      2.00000
     11       2.9113      2.00000
     12       2.9602      2.00000
     13       3.0224      2.00000
     14       3.1691      2.00000
     15       3.3061      2.00000
     16       3.4544      2.00000
     17       3.4790      2.00000
     18       3.5475      2.00000
     19       3.6522      2.00000
     20       4.0813      2.05517
     21       5.9541     -0.00000
     22       6.0106     -0.00000
     23       6.3109     -0.00000
     24       6.5187     -0.00000
     25       6.6631     -0.00000
     26       6.9468     -0.00000
     27       7.1720     -0.00000
     28       7.2522     -0.00000
     29       7.4306     -0.00000
     30       7.5808     -0.00000
     31       7.6404     -0.00000
     32       8.0490     -0.00000
     33       8.1943     -0.00000
     34       8.2778     -0.00000
     35       8.5877     -0.00000
     36       8.9455     -0.00000
     37       9.0240     -0.00000
     38       9.4038     -0.00000
     39       9.4287     -0.00000
     40       9.5139     -0.00000
     41       9.9003      0.00000
     42      10.0548      0.00000
     43      10.0748      0.00000
     44      10.5601      0.00000

 k-point    43 :       0.2857    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.1994      2.00000
      2       1.5562      2.00000
      3       1.6447      2.00000
      4       1.8505      2.00000
      5       2.0024      2.00000
      6       2.2478      2.00000
      7       2.2809      2.00000
      8       2.3432      2.00000
      9       2.6852      2.00000
     10       2.7493      2.00000
     11       2.9400      2.00000
     12       3.1070      2.00000
     13       3.2429      2.00000
     14       3.3360      2.00000
     15       3.4287      2.00000
     16       3.4691      2.00000
     17       3.6128      2.00000
     18       3.6852      2.00001
     19       3.7780      2.00017
     20       4.0904      2.05910
     21       5.5800     -0.00000
     22       5.7555     -0.00000
     23       5.9835     -0.00000
     24       5.9923     -0.00000
     25       6.6801     -0.00000
     26       6.7618     -0.00000
     27       6.8970     -0.00000
     28       7.3481     -0.00000
     29       7.3997     -0.00000
     30       7.5870     -0.00000
     31       7.7115     -0.00000
     32       7.9898     -0.00000
     33       8.1410     -0.00000
     34       8.4788     -0.00000
     35       8.8128     -0.00000
     36       9.0463     -0.00000
     37       9.1628     -0.00000
     38       9.4797     -0.00000
     39       9.5095     -0.00000
     40       9.6597     -0.00000
     41      10.0503      0.00000
     42      10.2261      0.00000
     43      10.3771      0.00000
     44      10.6502      0.00000

 k-point    44 :       0.4286    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.3007      2.00000
      2       1.4478      2.00000
      3       1.6588      2.00000
      4       1.8061      2.00000
      5       1.9551      2.00000
      6       2.1016      2.00000
      7       2.3499      2.00000
      8       2.4301      2.00000
      9       2.4990      2.00000
     10       2.5722      2.00000
     11       3.1135      2.00000
     12       3.2222      2.00000
     13       3.4138      2.00000
     14       3.5010      2.00000
     15       3.5327      2.00000
     16       3.5784      2.00000
     17       3.6290      2.00000
     18       3.7873      2.00022
     19       3.9042      2.00378
     20       4.0530      2.04218
     21       5.3757     -0.00000
     22       5.5665     -0.00000
     23       5.6203     -0.00000
     24       5.6266     -0.00000
     25       6.6432     -0.00000
     26       6.7107     -0.00000
     27       6.7380     -0.00000
     28       7.3708     -0.00000
     29       7.4460     -0.00000
     30       7.5322     -0.00000
     31       7.7866     -0.00000
     32       7.9244     -0.00000
     33       7.9260     -0.00000
     34       8.4952     -0.00000
     35       9.1108     -0.00000
     36       9.2310     -0.00000
     37       9.3680     -0.00000
     38       9.4894     -0.00000
     39       9.5250     -0.00000
     40       9.8193     -0.00000
     41      10.1146      0.00000
     42      10.2458      0.00000
     43      10.5006      0.00000
     44      10.6733      0.00000

 k-point    45 :       0.0000    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.1972      2.00000
      2       1.3145      2.00000
      3       1.8566      2.00000
      4       1.9882      2.00000
      5       2.2517      2.00000
      6       2.3092      2.00000
      7       2.3586      2.00000
      8       2.4229      2.00000
      9       2.5913      2.00000
     10       2.8959      2.00000
     11       2.9205      2.00000
     12       2.9469      2.00000
     13       3.0173      2.00000
     14       3.1104      2.00000
     15       3.3533      2.00000
     16       3.3908      2.00000
     17       3.4422      2.00000
     18       3.5599      2.00000
     19       3.5774      2.00000
     20       3.7408      2.00006
     21       6.1139     -0.00000
     22       6.2210     -0.00000
     23       6.4645     -0.00000
     24       6.5162     -0.00000
     25       6.6348     -0.00000
     26       6.6623     -0.00000
     27       7.3706     -0.00000
     28       7.4269     -0.00000
     29       7.6692     -0.00000
     30       7.6901     -0.00000
     31       7.7719     -0.00000
     32       7.8749     -0.00000
     33       8.3766     -0.00000
     34       8.3879     -0.00000
     35       8.5743     -0.00000
     36       8.9933     -0.00000
     37       9.0378     -0.00000
     38       9.1426     -0.00000
     39       9.4020     -0.00000
     40       9.5345     -0.00000
     41       9.6293     -0.00000
     42       9.9177      0.00000
     43      10.4132      0.00000
     44      10.6221      0.00000

 k-point    46 :       0.1429    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.2168      2.00000
      2       1.3344      2.00000
      3       1.8768      2.00000
      4       1.9724      2.00000
      5       2.0096      2.00000
      6       2.0902      2.00000
      7       2.5705      2.00000
      8       2.6333      2.00000
      9       2.6558      2.00000
     10       2.7540      2.00000
     11       2.7637      2.00000
     12       2.9894      2.00000
     13       3.1835      2.00000
     14       3.2915      2.00000
     15       3.3074      2.00000
     16       3.3987      2.00000
     17       3.5136      2.00000
     18       3.5731      2.00000
     19       3.6041      2.00000
     20       3.7561      2.00009
     21       6.0102     -0.00000
     22       6.0408     -0.00000
     23       6.1930     -0.00000
     24       6.2739     -0.00000
     25       6.6636     -0.00000
     26       6.7684     -0.00000
     27       7.2464     -0.00000
     28       7.2561     -0.00000
     29       7.6529     -0.00000
     30       7.7396     -0.00000
     31       7.8547     -0.00000
     32       8.0411     -0.00000
     33       8.3389     -0.00000
     34       8.5034     -0.00000
     35       8.5907     -0.00000
     36       9.0290     -0.00000
     37       9.1083     -0.00000
     38       9.1404     -0.00000
     39       9.4630     -0.00000
     40       9.6496     -0.00000
     41       9.7199     -0.00000
     42       9.9799      0.00000
     43      10.4089      0.00000
     44      10.5650      0.00000

 k-point    47 :       0.2857    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.2764      2.00000
      2       1.3945      2.00000
      3       1.7229      2.00000
      4       1.8413      2.00000
      5       1.9390      2.00000
      6       2.0706      2.00000
      7       2.3818      2.00000
      8       2.5150      2.00000
      9       2.6719      2.00000
     10       2.9843      2.00000
     11       3.0459      2.00000
     12       3.0848      2.00000
     13       3.1417      2.00000
     14       3.3228      2.00000
     15       3.4660      2.00000
     16       3.5324      2.00000
     17       3.5553      2.00000
     18       3.6931      2.00001
     19       3.6977      2.00001
     20       3.8013      2.00032
     21       5.6099     -0.00000
     22       5.7244     -0.00000
     23       5.8113     -0.00000
     24       5.8724     -0.00000
     25       6.7195     -0.00000
     26       6.7497     -0.00000
     27       7.0571     -0.00000
     28       7.2096     -0.00000
     29       7.6482     -0.00000
     30       7.7516     -0.00000
     31       7.8446     -0.00000
     32       8.0972     -0.00000
     33       8.3257     -0.00000
     34       8.5688     -0.00000
     35       8.7725     -0.00000
     36       9.1212     -0.00000
     37       9.2060     -0.00000
     38       9.2851     -0.00000
     39       9.5763     -0.00000
     40       9.7910     -0.00000
     41       9.8818      0.00000
     42      10.1631      0.00000
     43      10.3807      0.00000
     44      10.6715      0.00000

 k-point    48 :       0.4286    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.3783      2.00000
      2       1.4970      2.00000
      3       1.5259      2.00000
      4       1.6450      2.00000
      5       2.0420      2.00000
      6       2.1740      2.00000
      7       2.1905      2.00000
      8       2.3239      2.00000
      9       2.7671      2.00000
     10       2.8984      2.00000
     11       3.1110      2.00000
     12       3.2169      2.00000
     13       3.3740      2.00000
     14       3.4660      2.00000
     15       3.4926      2.00000
     16       3.6015      2.00000
     17       3.6194      2.00000
     18       3.7838      2.00020
     19       3.7981      2.00029
     20       3.8640      2.00155
     21       5.3482     -0.00000
     22       5.4284     -0.00000
     23       5.5102     -0.00000
     24       5.5445     -0.00000
     25       6.7171     -0.00000
     26       6.7453     -0.00000
     27       6.9598     -0.00000
     28       7.2184     -0.00000
     29       7.6825     -0.00000
     30       7.7680     -0.00000
     31       7.8020     -0.00000
     32       7.9338     -0.00000
     33       8.3247     -0.00000
     34       8.7853     -0.00000
     35       8.8344     -0.00000
     36       9.0601     -0.00000
     37       9.3581     -0.00000
     38       9.4219     -0.00000
     39       9.6259     -0.00000
     40       9.7877     -0.00000
     41      10.0408      0.00000
     42      10.3340      0.00000
     43      10.4381      0.00000
     44      10.6934      0.00000

 k-point    49 :       0.0000    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.2500      2.00000
      2       1.4637      2.00000
      3       1.8736      2.00000
      4       2.1062      2.00000
      5       2.1344      2.00000
      6       2.2984      2.00000
      7       2.3498      2.00000
      8       2.4202      2.00000
      9       2.5324      2.00000
     10       2.5520      2.00000
     11       2.8750      2.00000
     12       2.9462      2.00000
     13       3.0871      2.00000
     14       3.1093      2.00000
     15       3.1371      2.00000
     16       3.1522      2.00000
     17       3.2998      2.00000
     18       3.3235      2.00000
     19       3.8339      2.00075
     20       4.1086      2.06593
     21       6.2765     -0.00000
     22       6.4920     -0.00000
     23       6.7251     -0.00000
     24       7.0169     -0.00000
     25       7.0867     -0.00000
     26       7.1106     -0.00000
     27       7.1410     -0.00000
     28       7.2838     -0.00000
     29       7.6316     -0.00000
     30       7.6585     -0.00000
     31       7.6762     -0.00000
     32       7.9427     -0.00000
     33       8.0863     -0.00000
     34       8.3121     -0.00000
     35       8.5905     -0.00000
     36       8.9419     -0.00000
     37       9.0271     -0.00000
     38       9.2303     -0.00000
     39       9.3346     -0.00000
     40       9.3473     -0.00000
     41       9.3698     -0.00000
     42       9.5054     -0.00000
     43       9.5228     -0.00000
     44       9.7862     -0.00000

 k-point    50 :       0.1429    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.2697      2.00000
      2       1.4835      2.00000
      3       1.8937      2.00000
      4       2.0223      2.00000
      5       2.1361      2.00000
      6       2.1486      2.00000
      7       2.2508      2.00000
      8       2.4007      2.00000
      9       2.6261      2.00000
     10       2.7015      2.00000
     11       2.8316      2.00000
     12       2.8563      2.00000
     13       2.9413      2.00000
     14       3.0916      2.00000
     15       3.2190      2.00000
     16       3.3904      2.00000
     17       3.3925      2.00000
     18       3.5238      2.00000
     19       3.8592      2.00138
     20       4.1196      2.06891
     21       6.1296     -0.00000
     22       6.1983     -0.00000
     23       6.5201     -0.00000
     24       6.6648     -0.00000
     25       6.9653     -0.00000
     26       7.0024     -0.00000
     27       7.1660     -0.00000
     28       7.2140     -0.00000
     29       7.6019     -0.00000
     30       7.6304     -0.00000
     31       7.9265     -0.00000
     32       8.1569     -0.00000
     33       8.1955     -0.00000
     34       8.4800     -0.00000
     35       8.5707     -0.00000
     36       8.8515     -0.00000
     37       8.8923     -0.00000
     38       9.1929     -0.00000
     39       9.2493     -0.00000
     40       9.4977     -0.00000
     41       9.5665     -0.00000
     42       9.6298     -0.00000
     43       9.8060     -0.00000
     44       9.9860      0.00000

 k-point    51 :       0.2857    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.3294      2.00000
      2       1.5437      2.00000
      3       1.7760      2.00000
      4       1.9485      2.00000
      5       1.9963      2.00000
      6       2.1928      2.00000
      7       2.2215      2.00000
      8       2.3959      2.00000
      9       2.4596      2.00000
     10       2.6230      2.00000
     11       2.6457      2.00000
     12       2.8684      2.00000
     13       3.1309      2.00000
     14       3.2717      2.00000
     15       3.5048      2.00000
     16       3.6135      2.00000
     17       3.6446      2.00000
     18       3.6937      2.00001
     19       3.9280      2.00612
     20       4.1361      2.07091
     21       5.7377     -0.00000
     22       5.7995     -0.00000
     23       6.0690     -0.00000
     24       6.1390     -0.00000
     25       6.8484     -0.00000
     26       6.8876     -0.00000
     27       6.9607     -0.00000
     28       7.0708     -0.00000
     29       7.6261     -0.00000
     30       7.6575     -0.00000
     31       8.0252     -0.00000
     32       8.0568     -0.00000
     33       8.3258     -0.00000
     34       8.7112     -0.00000
     35       8.8625     -0.00000
     36       8.8635     -0.00000
     37       9.0053     -0.00000
     38       9.2237     -0.00000
     39       9.2294     -0.00000
     40       9.5689     -0.00000
     41       9.8861      0.00000
     42       9.9295      0.00000
     43      10.2142      0.00000
     44      10.4144      0.00000

 k-point    52 :       0.4286    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.4314      2.00000
      2       1.5790      2.00000
      3       1.6459      2.00000
      4       1.7929      2.00000
      5       2.0595      2.00000
      6       2.2054      2.00000
      7       2.2925      2.00000
      8       2.3223      2.00000
      9       2.4349      2.00000
     10       2.4652      2.00000
     11       2.5641      2.00000
     12       2.7025      2.00000
     13       3.5003      2.00000
     14       3.5666      2.00000
     15       3.6560      2.00000
     16       3.6799      2.00001
     17       3.8235      2.00057
     18       3.8906      2.00282
     19       3.9376      2.00737
     20       4.0870      2.05766
     21       5.5003     -0.00000
     22       5.5808     -0.00000
     23       5.6705     -0.00000
     24       5.7213     -0.00000
     25       6.7438     -0.00000
     26       6.7838     -0.00000
     27       6.8469     -0.00000
     28       6.9649     -0.00000
     29       7.6870     -0.00000
     30       7.7286     -0.00000
     31       7.8448     -0.00000
     32       7.8607     -0.00000
     33       8.4834     -0.00000
     34       8.7515     -0.00000
     35       9.0315     -0.00000
     36       9.0512     -0.00000
     37       9.1931     -0.00000
     38       9.2050     -0.00000
     39       9.3179     -0.00000
     40       9.5062     -0.00000
     41      10.1860      0.00000
     42      10.4047      0.00000
     43      10.4613      0.00000
     44      10.7744      0.00000

 k-point    53 :       0.0000    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.2895      2.00000
      2       1.5052      2.00000
      3       1.6593      2.00000
      4       1.8895      2.00000
      5       2.3491      2.00000
      6       2.3908      2.00000
      7       2.4244      2.00000
      8       2.5639      2.00000
      9       2.6132      2.00000
     10       2.7157      2.00000
     11       2.7199      2.00000
     12       2.7637      2.00000
     13       2.9195      2.00000
     14       2.9636      2.00000
     15       3.2950      2.00000
     16       3.3421      2.00000
     17       3.4370      2.00000
     18       3.4634      2.00000
     19       3.5949      2.00000
     20       3.8608      2.00144
     21       6.3126     -0.00000
     22       6.4637     -0.00000
     23       6.5136     -0.00000
     24       6.7355     -0.00000
     25       7.1599     -0.00000
     26       7.1817     -0.00000
     27       7.3682     -0.00000
     28       7.4355     -0.00000
     29       7.4967     -0.00000
     30       7.4977     -0.00000
     31       7.6674     -0.00000
     32       7.8763     -0.00000
     33       8.2312     -0.00000
     34       8.5736     -0.00000
     35       8.7133     -0.00000
     36       8.9299     -0.00000
     37       9.0907     -0.00000
     38       9.1135     -0.00000
     39       9.3866     -0.00000
     40       9.5682     -0.00000
     41       9.6740     -0.00000
     42       9.6965     -0.00000
     43       9.7090     -0.00000
     44      10.0350      0.00000

 k-point    54 :       0.1429    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.3093      2.00000
      2       1.5250      2.00000
      3       1.6796      2.00000
      4       1.9093      2.00000
      5       2.0684      2.00000
      6       2.2734      2.00000
      7       2.4298      2.00000
      8       2.4794      2.00000
      9       2.6397      2.00000
     10       2.6783      2.00000
     11       2.8070      2.00000
     12       2.9250      2.00000
     13       3.0530      2.00000
     14       3.1412      2.00000
     15       3.2214      2.00000
     16       3.3173      2.00000
     17       3.5099      2.00000
     18       3.5708      2.00000
     19       3.6303      2.00000
     20       3.8768      2.00208
     21       6.1288     -0.00000
     22       6.1352     -0.00000
     23       6.4324     -0.00000
     24       6.5018     -0.00000
     25       6.9769     -0.00000
     26       6.9867     -0.00000
     27       7.3488     -0.00000
     28       7.3825     -0.00000
     29       7.6160     -0.00000
     30       7.7247     -0.00000
     31       7.8132     -0.00000
     32       7.9657     -0.00000
     33       8.2833     -0.00000
     34       8.5406     -0.00000
     35       8.7141     -0.00000
     36       8.9383     -0.00000
     37       9.0169     -0.00000
     38       9.1683     -0.00000
     39       9.4957     -0.00000
     40       9.5928     -0.00000
     41       9.6204     -0.00000
     42       9.8291     -0.00000
     43      10.0209      0.00000
     44      10.1685      0.00000

 k-point    55 :       0.2857    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.3692      2.00000
      2       1.5853      2.00000
      3       1.7409      2.00000
      4       1.8163      2.00000
      5       1.9729      2.00000
      6       2.0318      2.00000
      7       2.1902      2.00000
      8       2.4162      2.00000
      9       2.5298      2.00000
     10       2.7660      2.00000
     11       2.9133      2.00000
     12       3.0852      2.00000
     13       3.2020      2.00000
     14       3.2986      2.00000
     15       3.4070      2.00000
     16       3.4913      2.00000
     17       3.6363      2.00000
     18       3.6651      2.00000
     19       3.7443      2.00006
     20       3.9186      2.00508
     21       5.6786     -0.00000
     22       5.7542     -0.00000
     23       5.9767     -0.00000
     24       5.9827     -0.00000
     25       6.9647     -0.00000
     26       6.9804     -0.00000
     27       7.1347     -0.00000
     28       7.2933     -0.00000
     29       7.6667     -0.00000
     30       7.7279     -0.00000
     31       7.9897     -0.00000
     32       8.0836     -0.00000
     33       8.2770     -0.00000
     34       8.6317     -0.00000
     35       8.8202     -0.00000
     36       8.9990     -0.00000
     37       9.0798     -0.00000
     38       9.2472     -0.00000
     39       9.5333     -0.00000
     40       9.7249     -0.00000
     41       9.7546     -0.00000
     42       9.9557      0.00000
     43      10.3557      0.00000
     44      10.5662      0.00000

 k-point    56 :       0.4286    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.4715      2.00000
      2       1.6195      2.00000
      3       1.6875      2.00000
      4       1.8288      2.00000
      5       1.8522      2.00000
      6       1.9953      2.00000
      7       2.0753      2.00000
      8       2.2245      2.00000
      9       2.6242      2.00000
     10       2.7563      2.00000
     11       2.8586      2.00000
     12       2.9800      2.00000
     13       3.5015      2.00000
     14       3.5568      2.00000
     15       3.5940      2.00000
     16       3.6209      2.00000
     17       3.6980      2.00001
     18       3.8128      2.00044
     19       3.8192      2.00051
     20       3.9381      2.00744
     21       5.4037     -0.00000
     22       5.4722     -0.00000
     23       5.5619     -0.00000
     24       5.5711     -0.00000
     25       6.9555     -0.00000
     26       6.9995     -0.00000
     27       7.0091     -0.00000
     28       7.2476     -0.00000
     29       7.6809     -0.00000
     30       7.7516     -0.00000
     31       7.9181     -0.00000
     32       7.9306     -0.00000
     33       8.3054     -0.00000
     34       8.8530     -0.00000
     35       8.9251     -0.00000
     36       9.1622     -0.00000
     37       9.2038     -0.00000
     38       9.3488     -0.00000
     39       9.3894     -0.00000
     40       9.6197     -0.00000
     41       9.9675      0.00000
     42      10.1800      0.00000
     43      10.4838      0.00000
     44      10.7306      0.00000

 k-point    57 :       0.0000    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.3695      2.00000
      2       1.4920      2.00000
      3       1.5889      2.00000
      4       1.7165      2.00000
      5       2.4246      2.00000
      6       2.4720      2.00000
      7       2.5279      2.00000
      8       2.5830      2.00000
      9       2.6368      2.00000
     10       2.6869      2.00000
     11       2.7645      2.00000
     12       2.7963      2.00000
     13       2.8642      2.00000
     14       3.0956      2.00000
     15       3.2293      2.00000
     16       3.4268      2.00000
     17       3.4780      2.00000
     18       3.5121      2.00000
     19       3.5157      2.00000
     20       3.5174      2.00000
     21       6.3550     -0.00000
     22       6.3896     -0.00000
     23       6.4503     -0.00000
     24       6.5297     -0.00000
     25       6.9807     -0.00000
     26       7.0112     -0.00000
     27       7.3394     -0.00000
     28       7.4050     -0.00000
     29       7.7997     -0.00000
     30       7.8269     -0.00000
     31       7.8472     -0.00000
     32       7.8870     -0.00000
     33       8.3734     -0.00000
     34       8.5657     -0.00000
     35       8.6814     -0.00000
     36       8.8049     -0.00000
     37       9.1212     -0.00000
     38       9.2566     -0.00000
     39       9.2881     -0.00000
     40       9.4003     -0.00000
     41      10.0741      0.00000
     42      10.1954      0.00000
     43      10.2477      0.00000
     44      10.4089      0.00000

 k-point    58 :       0.1429    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.3894      2.00000
      2       1.5120      2.00000
      3       1.6090      2.00000
      4       1.7367      2.00000
      5       2.1480      2.00000
      6       2.2674      2.00000
      7       2.3653      2.00000
      8       2.4889      2.00000
      9       2.7927      2.00000
     10       2.8028      2.00000
     11       2.9129      2.00000
     12       3.0443      2.00000
     13       3.0463      2.00000
     14       3.1417      2.00000
     15       3.2800      2.00000
     16       3.3455      2.00000
     17       3.4778      2.00000
     18       3.5216      2.00000
     19       3.5249      2.00000
     20       3.5489      2.00000
     21       6.1431     -0.00000
     22       6.1530     -0.00000
     23       6.2742     -0.00000
     24       6.2961     -0.00000
     25       7.0049     -0.00000
     26       7.0441     -0.00000
     27       7.3132     -0.00000
     28       7.3588     -0.00000
     29       7.8226     -0.00000
     30       7.8390     -0.00000
     31       7.8934     -0.00000
     32       7.9463     -0.00000
     33       8.4915     -0.00000
     34       8.5352     -0.00000
     35       8.7012     -0.00000
     36       8.9280     -0.00000
     37       9.1533     -0.00000
     38       9.2161     -0.00000
     39       9.3810     -0.00000
     40       9.4652     -0.00000
     41      10.0739      0.00000
     42      10.1848      0.00000
     43      10.3441      0.00000
     44      10.5138      0.00000

 k-point    59 :       0.2857    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.4498      2.00000
      2       1.5726      2.00000
      3       1.6701      2.00000
      4       1.7974      2.00000
      5       1.8997      2.00000
      6       2.0214      2.00000
      7       2.1205      2.00000
      8       2.2474      2.00000
      9       2.8696      2.00000
     10       3.0549      2.00000
     11       3.1597      2.00000
     12       3.1724      2.00000
     13       3.2680      2.00000
     14       3.3058      2.00000
     15       3.3956      2.00000
     16       3.4123      2.00000
     17       3.4729      2.00000
     18       3.5667      2.00000
     19       3.5737      2.00000
     20       3.6166      2.00000
     21       5.6873     -0.00000
     22       5.7498     -0.00000
     23       5.8110     -0.00000
     24       5.8533     -0.00000
     25       7.0772     -0.00000
     26       7.0898     -0.00000
     27       7.2885     -0.00000
     28       7.3638     -0.00000
     29       7.7724     -0.00000
     30       7.8045     -0.00000
     31       7.8797     -0.00000
     32       8.0471     -0.00000
     33       8.5854     -0.00000
     34       8.6104     -0.00000
     35       8.8172     -0.00000
     36       9.0364     -0.00000
     37       9.2067     -0.00000
     38       9.2265     -0.00000
     39       9.4556     -0.00000
     40       9.5138     -0.00000
     41      10.1553      0.00000
     42      10.2835      0.00000
     43      10.4689      0.00000
     44      10.6674      0.00000

 k-point    60 :       0.4286    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.5525      2.00000
      2       1.6754      2.00000
      3       1.7009      2.00000
      4       1.7718      2.00000
      5       1.8270      2.00000
      6       1.9024      2.00000
      7       1.9241      2.00000
      8       2.0522      2.00000
      9       2.9557      2.00000
     10       3.0654      2.00000
     11       3.1587      2.00000
     12       3.2151      2.00000
     13       3.3645      2.00000
     14       3.4051      2.00000
     15       3.4571      2.00000
     16       3.5318      2.00000
     17       3.6309      2.00000
     18       3.7110      2.00002
     19       3.7396      2.00005
     20       3.7465      2.00007
     21       5.3614     -0.00000
     22       5.4102     -0.00000
     23       5.4290     -0.00000
     24       5.4654     -0.00000
     25       7.1067     -0.00000
     26       7.1357     -0.00000
     27       7.2835     -0.00000
     28       7.4181     -0.00000
     29       7.7497     -0.00000
     30       7.8022     -0.00000
     31       7.8318     -0.00000
     32       7.9772     -0.00000
     33       8.5293     -0.00000
     34       8.7973     -0.00000
     35       8.9678     -0.00000
     36       9.0124     -0.00000
     37       9.2563     -0.00000
     38       9.3043     -0.00000
     39       9.3944     -0.00000
     40       9.4596     -0.00000
     41      10.2453      0.00000
     42      10.4104      0.00000
     43      10.5599      0.00000
     44      10.7451      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
  1.203   5.373  -0.004   0.012   0.004
  5.373  22.975  -0.014   0.046   0.015
 -0.004  -0.014  -0.244  -0.001   0.002
  0.012   0.046  -0.001  -0.253  -0.000
  0.004   0.015   0.002  -0.000  -0.245
 total augmentation occupancy for first ion, spin component:           1
  2.355  -0.037   0.036  -0.110  -0.037
 -0.037   0.001  -0.002   0.003   0.002
  0.036  -0.002   0.218  -0.007   0.011
 -0.110   0.003  -0.007   0.136   0.002
 -0.037   0.002   0.011   0.002   0.206


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


    CHARGE:  cpu time    0.1859: real time    0.1859
    FORLOC:  cpu time    0.0117: real time    0.0117
    FORNL :  cpu time   13.9861: real time   13.9873
    STRESS:  cpu time    4.6932: real time    4.6936
    FORCOR:  cpu time    0.0316: real time    0.0316
    FORHAR:  cpu time    0.0220: real time    0.0220
    MIXING:  cpu time    0.0052: real time    0.0052
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    14.45323    14.45323    14.45323
  Ewald    -142.93110  -147.87974  -129.83856     0.00000     0.00000    -0.00000
  Hartree     1.16017     0.68341     1.05379    -0.00000    -0.00000     0.00000
  E(xc)    -107.78932  -108.20025  -107.03176     0.00000     0.00000    -0.00000
  Local       7.57374     2.40444    11.66856     0.00000     0.00000    -0.00000
  n-local   128.59175   129.16521   126.19139     0.01969     0.07611    -0.21285
  augment     7.30274     7.44326     6.97697    -0.00000    -0.00000     0.00000
  Kinetic   213.48053   223.17804   198.55704     0.07459    -1.14596    -0.90161
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     121.84175   121.24759   122.03066     0.00000     0.00000     0.00000
  in kB     673.13222   669.84970   674.17588     0.00000     0.00000     0.00000
  external pressure =      -27.61 kB  Pullay stress =      700.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      650.00
  volume of cell :      290.01
      direct lattice vectors                 reciprocal lattice vectors
     6.919013948  0.000000000  0.000000000     0.144529265  0.000000000  0.000000000
     0.000000000  8.216841856  0.000000000     0.000000000  0.121701259  0.000000000
     0.000000000  0.000000000  5.101021816     0.000000000  0.000000000  0.196039154

  length of vectors
     6.919013948  8.216841856  5.101021816     0.144529265  0.121701259  0.196039154


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.205E-01 0.764E-01 -.239E+00   -.451E+00 0.369E+00 -.123E+01   0.448E+00 -.428E+00 0.139E+01   0.225E-06 -.479E-06 -.524E-06
   0.205E-01 -.764E-01 -.239E+00   0.451E+00 -.369E+00 -.123E+01   -.448E+00 0.428E+00 0.139E+01   -.224E-06 0.476E-06 -.524E-06
   -.205E-01 -.764E-01 -.239E+00   -.451E+00 -.369E+00 -.123E+01   0.448E+00 0.428E+00 0.139E+01   0.224E-06 0.481E-06 -.524E-06
   0.205E-01 0.764E-01 -.239E+00   0.451E+00 0.369E+00 -.123E+01   -.448E+00 -.428E+00 0.139E+01   -.225E-06 -.478E-06 -.524E-06
   -.205E-01 0.764E-01 -.239E+00   -.451E+00 0.369E+00 -.123E+01   0.448E+00 -.428E+00 0.139E+01   0.225E-06 -.478E-06 -.524E-06
   0.205E-01 -.764E-01 -.239E+00   0.451E+00 -.369E+00 -.123E+01   -.448E+00 0.428E+00 0.139E+01   -.224E-06 0.481E-06 -.524E-06
   -.205E-01 -.764E-01 -.239E+00   -.451E+00 -.369E+00 -.123E+01   0.448E+00 0.428E+00 0.139E+01   0.224E-06 0.476E-06 -.524E-06
   0.205E-01 0.764E-01 -.239E+00   0.451E+00 0.369E+00 -.123E+01   -.448E+00 -.428E+00 0.139E+01   -.225E-06 -.479E-06 -.524E-06
   -.194E-01 -.106E-01 0.130E+00   -.556E-01 -.243E+00 0.771E+00   0.695E-01 0.242E+00 -.852E+00   -.113E-05 -.426E-06 -.588E-06
   0.194E-01 0.106E-01 0.130E+00   0.556E-01 0.243E+00 0.771E+00   -.695E-01 -.242E+00 -.852E+00   0.113E-05 0.423E-06 -.588E-06
   -.194E-01 0.106E-01 0.130E+00   -.556E-01 0.243E+00 0.771E+00   0.695E-01 -.242E+00 -.852E+00   -.113E-05 0.424E-06 -.588E-06
   0.194E-01 -.106E-01 0.130E+00   0.556E-01 -.243E+00 0.771E+00   -.695E-01 0.242E+00 -.852E+00   0.113E-05 -.421E-06 -.588E-06
   -.194E-01 -.106E-01 0.130E+00   -.556E-01 -.243E+00 0.771E+00   0.695E-01 0.242E+00 -.852E+00   -.113E-05 -.421E-06 -.588E-06
   0.194E-01 0.106E-01 0.130E+00   0.556E-01 0.243E+00 0.771E+00   -.695E-01 -.242E+00 -.852E+00   0.113E-05 0.424E-06 -.588E-06
   -.194E-01 0.106E-01 0.130E+00   -.556E-01 0.243E+00 0.771E+00   0.695E-01 -.242E+00 -.852E+00   -.113E-05 0.423E-06 -.588E-06
   0.194E-01 -.106E-01 0.130E+00   0.556E-01 -.243E+00 0.771E+00   -.695E-01 0.242E+00 -.852E+00   0.113E-05 -.426E-06 -.588E-06
   -.266E+00 -.167E+00 0.460E-02   -.653E+00 -.353E-01 0.823E-01   0.883E+00 0.196E+00 -.819E-01   0.101E-06 0.280E-06 0.114E-05
   0.266E+00 0.167E+00 0.460E-02   0.653E+00 0.353E-01 0.823E-01   -.883E+00 -.196E+00 -.819E-01   -.999E-07 -.283E-06 0.114E-05
   -.266E+00 0.167E+00 0.460E-02   -.653E+00 0.353E-01 0.823E-01   0.883E+00 -.196E+00 -.819E-01   0.997E-07 -.278E-06 0.114E-05
   0.266E+00 -.167E+00 0.460E-02   0.653E+00 -.353E-01 0.823E-01   -.883E+00 0.196E+00 -.819E-01   -.100E-06 0.281E-06 0.114E-05
   -.266E+00 -.167E+00 0.460E-02   -.653E+00 -.353E-01 0.823E-01   0.883E+00 0.196E+00 -.819E-01   0.101E-06 0.281E-06 0.114E-05
   0.266E+00 0.167E+00 0.460E-02   0.653E+00 0.353E-01 0.823E-01   -.883E+00 -.196E+00 -.819E-01   -.999E-07 -.278E-06 0.114E-05
   -.266E+00 0.167E+00 0.460E-02   -.653E+00 0.353E-01 0.823E-01   0.883E+00 -.196E+00 -.819E-01   0.997E-07 -.283E-06 0.114E-05
   0.266E+00 -.167E+00 0.460E-02   0.653E+00 -.353E-01 0.823E-01   -.883E+00 0.196E+00 -.819E-01   -.100E-06 0.280E-06 0.114E-05
   -.492E-01 -.572E-01 0.132E-01   -.215E+00 0.632E-01 0.549E-01   0.240E+00 -.102E-01 -.511E-01   -.324E-06 -.510E-06 -.251E-07
   0.492E-01 0.573E-01 0.132E-01   0.215E+00 -.632E-01 0.549E-01   -.240E+00 0.102E-01 -.511E-01   0.324E-06 0.511E-06 -.251E-07
   -.492E-01 0.573E-01 0.132E-01   -.215E+00 -.632E-01 0.549E-01   0.240E+00 0.102E-01 -.511E-01   -.323E-06 0.513E-06 -.251E-07
   0.492E-01 -.572E-01 0.132E-01   0.215E+00 0.632E-01 0.549E-01   -.240E+00 -.102E-01 -.511E-01   0.324E-06 -.513E-06 -.251E-07
   -.492E-01 -.572E-01 0.132E-01   -.215E+00 0.632E-01 0.549E-01   0.240E+00 -.102E-01 -.511E-01   -.324E-06 -.513E-06 -.250E-07
   0.492E-01 0.573E-01 0.132E-01   0.215E+00 -.632E-01 0.549E-01   -.240E+00 0.102E-01 -.511E-01   0.324E-06 0.513E-06 -.250E-07
   -.492E-01 0.573E-01 0.132E-01   -.215E+00 -.632E-01 0.549E-01   0.240E+00 0.102E-01 -.511E-01   -.323E-06 0.511E-06 -.250E-07
   0.492E-01 -.572E-01 0.132E-01   0.215E+00 0.632E-01 0.549E-01   -.240E+00 -.102E-01 -.511E-01   0.324E-06 -.510E-06 -.250E-07
   0.287E-01 0.183E+00 0.102E+00   0.227E+00 -.161E+00 0.325E+00   -.231E+00 -.338E-01 -.414E+00   0.856E-06 0.389E-06 -.209E-07
   -.287E-01 -.183E+00 0.102E+00   -.227E+00 0.161E+00 0.325E+00   0.231E+00 0.338E-01 -.414E+00   -.857E-06 -.392E-06 -.209E-07
   0.287E-01 -.183E+00 0.102E+00   0.227E+00 0.161E+00 0.325E+00   -.231E+00 0.338E-01 -.414E+00   0.857E-06 -.390E-06 -.209E-07
   -.287E-01 0.183E+00 0.102E+00   -.227E+00 -.161E+00 0.325E+00   0.231E+00 -.338E-01 -.414E+00   -.857E-06 0.394E-06 -.209E-07
   0.287E-01 0.183E+00 0.102E+00   0.227E+00 -.161E+00 0.325E+00   -.231E+00 -.338E-01 -.414E+00   0.856E-06 0.394E-06 -.209E-07
   -.287E-01 -.183E+00 0.102E+00   -.227E+00 0.161E+00 0.325E+00   0.231E+00 0.338E-01 -.414E+00   -.857E-06 -.390E-06 -.209E-07
   0.287E-01 -.183E+00 0.102E+00   0.227E+00 0.161E+00 0.325E+00   -.231E+00 0.338E-01 -.414E+00   0.858E-06 -.392E-06 -.209E-07
   -.287E-01 0.183E+00 0.102E+00   -.227E+00 -.161E+00 0.325E+00   0.231E+00 -.338E-01 -.414E+00   -.857E-06 0.389E-06 -.209E-07
 -----------------------------------------------------------------------------------------------
   -.286E-04 0.239E-04 0.923E-01   -.105E-14 0.261E-14 -.211E-14   0.250E-15 0.347E-16 -.935E-01   0.260E-13 -.934E-12 -.140E-06
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.64551      0.95478      0.00397        -0.023002      0.017697     -0.083409
      6.27351      7.26206      0.00397         0.023002     -0.017697     -0.083409
      4.10501      3.15364      0.00397        -0.023002     -0.017697     -0.083409
      2.81400      5.06320      0.00397         0.023002      0.017697     -0.083409
      0.64551      5.06320      2.55448        -0.023002      0.017697     -0.083409
      6.27351      3.15364      2.55448         0.023002     -0.017697     -0.083409
      4.10501      7.26206      2.55448        -0.023002     -0.017697     -0.083409
      2.81400      0.95478      2.55448         0.023002      0.017697     -0.083409
      5.97226      7.42102      1.59728        -0.005499     -0.011367      0.048982
      0.94676      0.79582      1.59728         0.005499      0.011367      0.048982
      2.51275      4.90424      1.59728        -0.005499      0.011367      0.048982
      4.40626      3.31260      1.59728         0.005499     -0.011367      0.048982
      5.97226      3.31260      4.14779        -0.005499     -0.011367      0.048982
      0.94676      4.90424      4.14779         0.005499      0.011367      0.048982
      2.51275      0.79582      4.14779        -0.005499      0.011367      0.048982
      4.40626      7.42102      4.14779         0.005499     -0.011367      0.048982
      6.69814      0.96158      3.03039        -0.036614     -0.006836      0.005045
      0.22088      7.25527      3.03039         0.036614      0.006836      0.005045
      3.23863      3.14684      3.03039        -0.036614      0.006836      0.005045
      3.68038      5.07000      3.03039         0.036614     -0.006836      0.005045
      6.69814      5.07000      0.47988        -0.036614     -0.006836      0.005045
      0.22088      3.14684      0.47988         0.036614      0.006836      0.005045
      3.23863      7.25527      0.47988        -0.036614      0.006836      0.005045
      3.68038      0.96158      0.47988         0.036614     -0.006836      0.005045
      2.43045      2.20288      0.89797        -0.024331     -0.004231      0.017007
      4.48857      6.01396      0.89797         0.024331      0.004231      0.017007
      5.88995      1.90554      0.89797        -0.024331      0.004231      0.017007
      1.02906      6.31130      0.89797         0.024331     -0.004231      0.017007
      2.43045      6.31130      3.44848        -0.024331     -0.004231      0.017007
      4.48857      1.90554      3.44848         0.024331      0.004231      0.017007
      5.88995      6.01396      3.44848        -0.024331      0.004231      0.017007
      1.02906      2.20288      3.44848         0.024331     -0.004231      0.017007
      2.00721      7.49190      1.92187         0.024759     -0.011876      0.012375
      4.91180      0.72494      1.92187        -0.024759      0.011876      0.012375
      5.46672      4.83336      1.92187         0.024759      0.011876      0.012375
      1.45230      3.38348      1.92187        -0.024759     -0.011876      0.012375
      2.00721      3.38348      4.47238         0.024759     -0.011876      0.012375
      4.91180      4.83336      4.47238        -0.024759      0.011876      0.012375
      5.46672      0.72494      4.47238         0.024759      0.011876      0.012375
      1.45230      7.49190      4.47238        -0.024759     -0.011876      0.012375
 -----------------------------------------------------------------------------------
    total drift:                               -0.000029      0.000024     -0.001144


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -18.74957786 eV

  energy  without entropy=      -18.75965667  energy(sigma->0) =      -18.75293746
  enthalpy is  TOTEN    =       107.95542794 eV   P V=      126.70500580

 d Force = 0.1479289E-03[-0.481E-02, 0.511E-02]  d Energy = 0.2154037E+00-0.215E+00
 d Force =-0.7724247E-01[-0.783E-01,-0.762E-01]  d Ewald  =-0.7909816E+01 0.783E+01


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


    POTLOK:  cpu time    0.0293: real time    0.0301


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


 Steepest descent step on ions:
 trial-energy change:   -0.215404  1 .order   -0.219003   -0.721873    0.283868
  (g-gl).g = 0.722E+00      g.g   = 0.722E+00  gl.gl    = 0.000E+00
 g(Force)  = 0.502E-02   g(Stress)= 0.717E+00 ortho     = 0.000E+00
 gamma     =   0.00000
 trial     =   1.00000
 opt step  =   0.71336  (harmonic =   0.71775) maximal distance =0.00278488
 next E    =   107.914660   (d E  =  -0.25617)


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


    WAVPRE:  cpu time    0.0062: real time    0.0062
 FEWALD executed in parallel
    FEWALD:  cpu time    0.0016: real time    0.0027
    GENKIN:  cpu time    0.0265: real time    0.0265
    ORTHCH:  cpu time    0.5364: real time    0.5364
     LOOP+:  cpu time   54.6253: real time   54.6505


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


    POTLOK:  cpu time    0.0209: real time    0.0212
    SETDIJ:  cpu time    0.0059: real time    0.0059
     EDDAV:  cpu time    4.7758: real time    4.7779
       DOS:  cpu time    0.0076: real time    0.0076
    CHARGE:  cpu time    0.1792: real time    0.1796
    MIXING:  cpu time    0.0033: real time    0.0033
    --------------------------------------------
      LOOP:  cpu time    4.9950: real time    4.9995

 eigenvalue-minimisations  :  5312
 total energy-change (2. order) : 0.1935868E+01  (-0.3964528E-02)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9530284 magnetization 

  free energy =  -0.168137101558E+02  energy without entropy=  -0.168238286549E+02


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




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


    POTLOK:  cpu time    0.0218: real time    0.0218
    SETDIJ:  cpu time    0.0056: real time    0.0056
     EDDAV:  cpu time    5.7247: real time    5.7268
       DOS:  cpu time    0.0085: real time    0.0085
    CHARGE:  cpu time    0.1733: real time    0.1733
    MIXING:  cpu time    0.0033: real time    0.0033
    --------------------------------------------
      LOOP:  cpu time    5.9382: real time    5.9404

 eigenvalue-minimisations  :  6884
 total energy-change (2. order) : 0.4470153E-03  (-0.8544532E-04)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9515037 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   2.1466
  2.1466

  free energy =  -0.168132631406E+02  energy without entropy=  -0.168233887893E+02


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




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


    POTLOK:  cpu time    0.0218: real time    0.0218
    SETDIJ:  cpu time    0.0058: real time    0.0058
     EDDAV:  cpu time    5.3019: real time    5.3025
       DOS:  cpu time    0.0071: real time    0.0071
    CHARGE:  cpu time    0.1875: real time    0.1875
    MIXING:  cpu time    0.0035: real time    0.0036
    --------------------------------------------
      LOOP:  cpu time    5.5292: real time    5.5298

 eigenvalue-minimisations  :  6204
 total energy-change (2. order) : 0.2162790E-03  (-0.7740749E-05)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9512978 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9793
  1.1437  2.8149

  free energy =  -0.168130468616E+02  energy without entropy=  -0.168231795296E+02


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




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


    POTLOK:  cpu time    0.0205: real time    0.0205
    SETDIJ:  cpu time    0.0061: real time    0.0061
     EDDAV:  cpu time    5.3888: real time    5.3893
       DOS:  cpu time    0.0070: real time    0.0070
    CHARGE:  cpu time    0.1891: real time    0.1891
    MIXING:  cpu time    0.0036: real time    0.0036
    --------------------------------------------
      LOOP:  cpu time    5.6159: real time    5.6165

 eigenvalue-minimisations  :  6508
 total energy-change (2. order) :-0.1732006E-04  (-0.4195445E-06)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9512136 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9711
  0.9756  2.7578  2.1800

  free energy =  -0.168130641816E+02  energy without entropy=  -0.168231967671E+02


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




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


    POTLOK:  cpu time    0.0201: real time    0.0201
    SETDIJ:  cpu time    0.0060: real time    0.0060
     EDDAV:  cpu time    3.6177: real time    3.6181
       DOS:  cpu time    0.0073: real time    0.0073
    CHARGE:  cpu time    0.1727: real time    0.1728
    MIXING:  cpu time    0.0037: real time    0.0037
    --------------------------------------------
      LOOP:  cpu time    3.8284: real time    3.8289

 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.9803027E-05  (-0.3190877E-07)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9512041 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9206
  2.7900  2.5046  1.0015  1.3865

  free energy =  -0.168130543786E+02  energy without entropy=  -0.168231859036E+02


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




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


    POTLOK:  cpu time    0.0214: real time    0.0214
    SETDIJ:  cpu time    0.0057: real time    0.0057
     EDDAV:  cpu time    3.4444: real time    3.4448
       DOS:  cpu time    0.0072: real time    0.0072
    CHARGE:  cpu time    0.1693: real time    0.1694
    MIXING:  cpu time    0.0038: real time    0.0039
    --------------------------------------------
      LOOP:  cpu time    3.6528: real time    3.6532

 eigenvalue-minimisations  :  3068
 total energy-change (2. order) : 0.2304233E-05  (-0.5305339E-08)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9512054 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8006
  2.7112  2.4766  1.8591  0.9479  1.0082

  free energy =  -0.168130520744E+02  energy without entropy=  -0.168231834754E+02


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




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


    POTLOK:  cpu time    0.0215: real time    0.0215
    SETDIJ:  cpu time    0.0058: real time    0.0058
     EDDAV:  cpu time    3.3916: real time    3.3920
       DOS:  cpu time    0.0072: real time    0.0072
    --------------------------------------------
      LOOP:  cpu time    3.4271: real time    3.4274

 eigenvalue-minimisations  :  2948
 total energy-change (2. order) :-0.1029381E-06  (-0.4812018E-09)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9512054 magnetization 

  free energy =  -0.168130521773E+02  energy without entropy=  -0.168231836677E+02


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




 average (electrostatic) potential at core
  the test charge radii are     0.9748
  (the norm of the test charge is              1.0000)
       1 -25.9694       2 -25.9694       3 -25.9694       4 -25.9694       5 -25.9694
       6 -25.9694       7 -25.9694       8 -25.9694       9 -25.9049      10 -25.9049
      11 -25.9049      12 -25.9049      13 -25.9049      14 -25.9049      15 -25.9049
      16 -25.9049      17 -25.9197      18 -25.9197      19 -25.9197      20 -25.9197
      21 -25.9197      22 -25.9197      23 -25.9197      24 -25.9197      25 -25.8442
      26 -25.8442      27 -25.8442      28 -25.8442      29 -25.8442      30 -25.8442
      31 -25.8442      32 -25.8442      33 -26.0170      34 -26.0170      35 -26.0170
      36 -26.0170      37 -26.0170      38 -26.0170      39 -26.0170      40 -26.0170
 
 
 
 E-fermi :   4.4656     XC(G=0):  -9.5572     alpha+bet :-20.5784


 k-point     1 :       0.0000    0.0833    0.0500
  band No.  band energies     occupation 
      1       0.9653      2.00000
      2       1.5080      2.00000
      3       1.7441      2.00000
      4       2.0011      2.00000
      5       2.0442      2.00000
      6       2.5145      2.00000
      7       2.6230      2.00000
      8       2.7726      2.00000
      9       2.8678      2.00000
     10       2.9233      2.00000
     11       3.2103      2.00000
     12       3.2832      2.00000
     13       3.3997      2.00000
     14       3.4326      2.00000
     15       3.5103      2.00000
     16       3.6211      2.00000
     17       3.8399      2.00009
     18       4.1824      2.06236
     19       4.2124      2.07043
     20       4.3902      1.59069
     21       5.5445     -0.00000
     22       5.7457     -0.00000
     23       5.9360     -0.00000
     24       6.0897     -0.00000
     25       6.2111     -0.00000
     26       6.3061     -0.00000
     27       6.5611     -0.00000
     28       7.1322     -0.00000
     29       7.1387     -0.00000
     30       7.2435     -0.00000
     31       7.3762     -0.00000
     32       7.4660     -0.00000
     33       8.0815     -0.00000
     34       8.1722     -0.00000
     35       8.8204     -0.00000
     36       8.9722     -0.00000
     37       9.2291     -0.00000
     38       9.4606     -0.00000
     39       9.8295     -0.00000
     40       9.8696     -0.00000
     41      10.1179      0.00000
     42      10.3119      0.00000
     43      10.5561      0.00000
     44      10.8300      0.00000

 k-point     2 :       0.1429    0.0833    0.0500
  band No.  band energies     occupation 
      1       0.9837      2.00000
      2       1.5281      2.00000
      3       1.7144      2.00000
      4       1.7649      2.00000
      5       2.2758      2.00000
      6       2.3950      2.00000
      7       2.5265      2.00000
      8       2.8711      2.00000
      9       2.9636      2.00000
     10       3.1472      2.00000
     11       3.2382      2.00000
     12       3.2962      2.00000
     13       3.3766      2.00000
     14       3.4349      2.00000
     15       3.5402      2.00000
     16       3.6251      2.00000
     17       3.7771      2.00001
     18       4.0595      2.01448
     19       4.2299      2.07021
     20       4.4357      1.24998
     21       5.4315     -0.00000
     22       5.5979     -0.00000
     23       5.8935     -0.00000
     24       5.9965     -0.00000
     25       6.1576     -0.00000
     26       6.5305     -0.00000
     27       6.6352     -0.00000
     28       6.8461     -0.00000
     29       7.1150     -0.00000
     30       7.2331     -0.00000
     31       7.3108     -0.00000
     32       7.3986     -0.00000
     33       8.3581     -0.00000
     34       8.4095     -0.00000
     35       8.8378     -0.00000
     36       8.8982     -0.00000
     37       9.2529     -0.00000
     38       9.4335     -0.00000
     39       9.7792     -0.00000
     40       9.9519      0.00000
     41      10.0795      0.00000
     42      10.1884      0.00000
     43      10.8562      0.00000
     44      10.9363      0.00000

 k-point     3 :       0.2857    0.0833    0.0500
  band No.  band energies     occupation 
      1       1.0397      2.00000
      2       1.4681      2.00000
      3       1.5891      2.00000
      4       1.8276      2.00000
      5       2.0350      2.00000
      6       2.2827      2.00000
      7       2.8282      2.00000
      8       2.9695      2.00000
      9       3.2382      2.00000
     10       3.2717      2.00000
     11       3.3183      2.00000
     12       3.3369      2.00000
     13       3.4310      2.00000
     14       3.5252      2.00000
     15       3.5736      2.00000
     16       3.6245      2.00000
     17       3.7256      2.00000
     18       3.8447      2.00010
     19       4.1575      2.05166
     20       4.3416      1.85732
     21       5.3358     -0.00000
     22       5.4358     -0.00000
     23       5.7788     -0.00000
     24       5.8538     -0.00000
     25       5.8933     -0.00000
     26       6.2537     -0.00000
     27       6.7827     -0.00000
     28       7.0333     -0.00000
     29       7.1134     -0.00000
     30       7.2146     -0.00000
     31       7.2687     -0.00000
     32       7.5630     -0.00000
     33       8.5051     -0.00000
     34       8.5221     -0.00000
     35       8.7746     -0.00000
     36       8.9079     -0.00000
     37       9.2160     -0.00000
     38       9.3372     -0.00000
     39       9.8145     -0.00000
     40       9.8887     -0.00000
     41      10.1854      0.00000
     42      10.3807      0.00000
     43      11.0121      0.00000
     44      11.1339      0.00000

 k-point     4 :       0.4286    0.0833    0.0500
  band No.  band energies     occupation 
      1       1.1362      2.00000
      2       1.2772      2.00000
      3       1.6922      2.00000
      4       1.8393      2.00000
      5       1.9350      2.00000
      6       2.0853      2.00000
      7       3.0559      2.00000
      8       3.1610      2.00000
      9       3.3049      2.00000
     10       3.3956      2.00000
     11       3.4302      2.00000
     12       3.4443      2.00000
     13       3.5065      2.00000
     14       3.5124      2.00000
     15       3.6358      2.00000
     16       3.6526      2.00000
     17       3.7157      2.00000
     18       3.7710      2.00001
     19       3.9157      2.00071
     20       4.1109      2.03094
     21       5.3583     -0.00000
     22       5.4806     -0.00000
     23       5.6483     -0.00000
     24       5.6579     -0.00000
     25       5.7704     -0.00000
     26       5.7905     -0.00000
     27       6.9779     -0.00000
     28       7.1198     -0.00000
     29       7.1575     -0.00000
     30       7.1611     -0.00000
     31       7.6294     -0.00000
     32       7.8820     -0.00000
     33       8.1510     -0.00000
     34       8.2401     -0.00000
     35       8.8990     -0.00000
     36       8.9589     -0.00000
     37       9.1155     -0.00000
     38       9.2012     -0.00000
     39       9.8048     -0.00000
     40       9.8784     -0.00000
     41      10.4838      0.00000
     42      10.5786      0.00000
     43      11.2347      0.00000
     44      11.3333      0.00000

 k-point     5 :       0.0000    0.2500    0.0500
  band No.  band energies     occupation 
      1       0.9988      2.00000
      2       1.3184      2.00000
      3       2.0233      2.00000
      4       2.0327      2.00000
      5       2.0808      2.00000
      6       2.3387      2.00000
      7       2.4331      2.00000
      8       2.9429      2.00000
      9       3.0085      2.00000
     10       3.0535      2.00000
     11       3.1372      2.00000
     12       3.2111      2.00000
     13       3.4035      2.00000
     14       3.4975      2.00000
     15       3.5040      2.00000
     16       3.6919      2.00000
     17       3.7543      2.00001
     18       4.0097      2.00586
     19       4.0358      2.00960
     20       4.2325      2.06974
     21       5.6897     -0.00000
     22       5.8225     -0.00000
     23       5.9805     -0.00000
     24       6.2293     -0.00000
     25       6.3115     -0.00000
     26       6.4421     -0.00000
     27       6.5155     -0.00000
     28       6.7804     -0.00000
     29       7.2797     -0.00000
     30       7.3354     -0.00000
     31       7.4333     -0.00000
     32       7.6260     -0.00000
     33       8.0388     -0.00000
     34       8.1924     -0.00000
     35       8.8971     -0.00000
     36       9.0479     -0.00000
     37       9.0909     -0.00000
     38       9.2208     -0.00000
     39       9.5563     -0.00000
     40       9.8857     -0.00000
     41       9.9244     -0.00000
     42      10.4096      0.00000
     43      10.4882      0.00000
     44      10.9336      0.00000

 k-point     6 :       0.1429    0.2500    0.0500
  band No.  band energies     occupation 
      1       1.0172      2.00000
      2       1.3379      2.00000
      3       1.7493      2.00000
      4       2.0383      2.00000
      5       2.0910      2.00000
      6       2.4263      2.00000
      7       2.7308      2.00000
      8       2.8138      2.00000
      9       2.9751      2.00000
     10       3.0365      2.00000
     11       3.2276      2.00000
     12       3.3526      2.00000
     13       3.3993      2.00000
     14       3.5031      2.00000
     15       3.5259      2.00000
     16       3.6961      2.00000
     17       3.7068      2.00000
     18       3.8285      2.00006
     19       4.1107      2.03087
     20       4.2772      2.03601
     21       5.5678     -0.00000
     22       5.7511     -0.00000
     23       5.9443     -0.00000
     24       6.0753     -0.00000
     25       6.2353     -0.00000
     26       6.5037     -0.00000
     27       6.6453     -0.00000
     28       6.7198     -0.00000
     29       7.1749     -0.00000
     30       7.3207     -0.00000
     31       7.3441     -0.00000
     32       7.6027     -0.00000
     33       8.2877     -0.00000
     34       8.3715     -0.00000
     35       8.9019     -0.00000
     36       9.0080     -0.00000
     37       9.0336     -0.00000
     38       9.2333     -0.00000
     39       9.6323     -0.00000
     40       9.8283     -0.00000
     41       9.9539      0.00000
     42      10.4722      0.00000
     43      10.5102      0.00000
     44      11.0527      0.00000

 k-point     7 :       0.2857    0.2500    0.0500
  band No.  band energies     occupation 
      1       1.0736      2.00000
      2       1.3971      2.00000
      3       1.5031      2.00000
      4       1.8366      2.00000
      5       2.1141      2.00000
      6       2.5748      2.00000
      7       2.8491      2.00000
      8       2.9968      2.00000
      9       3.1219      2.00000
     10       3.1377      2.00000
     11       3.2749      2.00000
     12       3.3108      2.00000
     13       3.4740      2.00000
     14       3.5337      2.00000
     15       3.6108      2.00000
     16       3.6159      2.00000
     17       3.6742      2.00000
     18       3.7299      2.00000
     19       4.0496      2.01224
     20       4.2341      2.06939
     21       5.4088     -0.00000
     22       5.6715     -0.00000
     23       5.7791     -0.00000
     24       5.8326     -0.00000
     25       6.1143     -0.00000
     26       6.2079     -0.00000
     27       6.6286     -0.00000
     28       7.0721     -0.00000
     29       7.1215     -0.00000
     30       7.3633     -0.00000
     31       7.5072     -0.00000
     32       7.5460     -0.00000
     33       8.3771     -0.00000
     34       8.5317     -0.00000
     35       8.8046     -0.00000
     36       8.8914     -0.00000
     37       9.0495     -0.00000
     38       9.1751     -0.00000
     39       9.6409     -0.00000
     40       9.8030     -0.00000
     41      10.1715      0.00000
     42      10.5982      0.00000
     43      10.7172      0.00000
     44      11.2299      0.00000

 k-point     8 :       0.4286    0.2500    0.0500
  band No.  band energies     occupation 
      1       1.1704      2.00000
      2       1.3119      2.00000
      3       1.4979      2.00000
      4       1.6434      2.00000
      5       2.2233      2.00000
      6       2.3772      2.00000
      7       3.0926      2.00000
      8       3.2020      2.00000
      9       3.2124      2.00000
     10       3.3175      2.00000
     11       3.3806      2.00000
     12       3.4078      2.00000
     13       3.4337      2.00000
     14       3.4485      2.00000
     15       3.5496      2.00000
     16       3.6277      2.00000
     17       3.7463      2.00000
     18       3.7725      2.00001
     19       3.8491      2.00012
     20       4.0069      2.00555
     21       5.4237     -0.00000
     22       5.6170     -0.00000
     23       5.6199     -0.00000
     24       5.7956     -0.00000
     25       5.7973     -0.00000
     26       5.9768     -0.00000
     27       6.7943     -0.00000
     28       6.9600     -0.00000
     29       7.3376     -0.00000
     30       7.4406     -0.00000
     31       7.7328     -0.00000
     32       7.8222     -0.00000
     33       8.1714     -0.00000
     34       8.2008     -0.00000
     35       8.8458     -0.00000
     36       8.9009     -0.00000
     37       8.9818     -0.00000
     38       9.0623     -0.00000
     39       9.6136     -0.00000
     40       9.7795     -0.00000
     41      10.4598      0.00000
     42      10.6340      0.00000
     43      11.1576      0.00000
     44      11.3556      0.00000

 k-point     9 :       0.0000    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.0670      2.00000
      2       1.1724      2.00000
      3       2.0975      2.00000
      4       2.1540      2.00000
      5       2.1985      2.00000
      6       2.2489      2.00000
      7       2.3749      2.00000
      8       2.6965      2.00000
      9       3.0190      2.00000
     10       3.1127      2.00000
     11       3.3440      2.00000
     12       3.4335      2.00000
     13       3.4351      2.00000
     14       3.4742      2.00000
     15       3.6017      2.00000
     16       3.6022      2.00000
     17       3.7389      2.00000
     18       3.7812      2.00001
     19       3.8291      2.00007
     20       4.0202      2.00718
     21       5.9389     -0.00000
     22       5.9554     -0.00000
     23       6.1018     -0.00000
     24       6.1499     -0.00000
     25       6.2197     -0.00000
     26       6.4242     -0.00000
     27       6.6289     -0.00000
     28       6.9411     -0.00000
     29       6.9814     -0.00000
     30       7.2860     -0.00000
     31       7.6176     -0.00000
     32       7.8776     -0.00000
     33       8.1968     -0.00000
     34       8.3676     -0.00000
     35       8.5260     -0.00000
     36       9.0213     -0.00000
     37       9.0803     -0.00000
     38       9.1528     -0.00000
     39       9.3207     -0.00000
     40       9.6066     -0.00000
     41       9.9577      0.00000
     42      10.0683      0.00000
     43      10.7832      0.00000
     44      10.9643      0.00000

 k-point    10 :       0.1429    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.0857      2.00000
      2       1.1914      2.00000
      3       1.8202      2.00000
      4       1.9295      2.00000
      5       2.3651      2.00000
      6       2.4856      2.00000
      7       2.6057      2.00000
      8       2.7273      2.00000
      9       3.0384      2.00000
     10       3.1314      2.00000
     11       3.1424      2.00000
     12       3.4378      2.00000
     13       3.4843      2.00000
     14       3.4899      2.00000
     15       3.5034      2.00000
     16       3.6166      2.00000
     17       3.6863      2.00000
     18       3.8388      2.00009
     19       3.9121      2.00065
     20       4.0490      2.01212
     21       5.7661     -0.00000
     22       5.9385     -0.00000
     23       5.9695     -0.00000
     24       6.1256     -0.00000
     25       6.2545     -0.00000
     26       6.3712     -0.00000
     27       6.5636     -0.00000
     28       6.9107     -0.00000
     29       7.0093     -0.00000
     30       7.2295     -0.00000
     31       7.6396     -0.00000
     32       8.0066     -0.00000
     33       8.1839     -0.00000
     34       8.4973     -0.00000
     35       8.5792     -0.00000
     36       8.9953     -0.00000
     37       9.0318     -0.00000
     38       9.2533     -0.00000
     39       9.2786     -0.00000
     40       9.5662     -0.00000
     41      10.0216      0.00000
     42      10.1383      0.00000
     43      10.8018      0.00000
     44      11.0124      0.00000

 k-point    11 :       0.2857    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.1426      2.00000
      2       1.2494      2.00000
      3       1.5745      2.00000
      4       1.6847      2.00000
      5       2.4376      2.00000
      6       2.7680      2.00000
      7       2.9091      2.00000
      8       2.9355      2.00000
      9       2.9875      2.00000
     10       3.1123      2.00000
     11       3.1857      2.00000
     12       3.2704      2.00000
     13       3.3806      2.00000
     14       3.4637      2.00000
     15       3.5289      2.00000
     16       3.5993      2.00000
     17       3.7374      2.00000
     18       3.8903      2.00037
     19       3.9002      2.00048
     20       4.0773      2.01924
     21       5.5399     -0.00000
     22       5.6673     -0.00000
     23       5.8925     -0.00000
     24       6.0626     -0.00000
     25       6.0792     -0.00000
     26       6.3650     -0.00000
     27       6.4298     -0.00000
     28       6.7730     -0.00000
     29       7.2725     -0.00000
     30       7.4056     -0.00000
     31       7.7327     -0.00000
     32       8.0618     -0.00000
     33       8.1150     -0.00000
     34       8.4988     -0.00000
     35       8.6056     -0.00000
     36       8.8797     -0.00000
     37       8.9690     -0.00000
     38       9.2861     -0.00000
     39       9.2895     -0.00000
     40       9.5652     -0.00000
     41      10.2521      0.00000
     42      10.4287      0.00000
     43      10.8039      0.00000
     44      11.0526      0.00000

 k-point    12 :       0.4286    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.2404      2.00000
      2       1.3484      2.00000
      3       1.3827      2.00000
      4       1.4921      2.00000
      5       2.5528      2.00000
      6       2.7111      2.00000
      7       2.9022      2.00000
      8       3.0677      2.00000
      9       3.1598      2.00000
     10       3.2451      2.00000
     11       3.2759      2.00000
     12       3.3653      2.00000
     13       3.3892      2.00000
     14       3.4180      2.00000
     15       3.6037      2.00000
     16       3.6767      2.00000
     17       3.6772      2.00000
     18       3.7696      2.00001
     19       3.8274      2.00006
     20       3.8962      2.00043
     21       5.5152     -0.00000
     22       5.5777     -0.00000
     23       5.6948     -0.00000
     24       5.7690     -0.00000
     25       6.1371     -0.00000
     26       6.2839     -0.00000
     27       6.4898     -0.00000
     28       6.6383     -0.00000
     29       7.5784     -0.00000
     30       7.7212     -0.00000
     31       7.8134     -0.00000
     32       8.0184     -0.00000
     33       8.0474     -0.00000
     34       8.3349     -0.00000
     35       8.4408     -0.00000
     36       8.6391     -0.00000
     37       9.0357     -0.00000
     38       9.2618     -0.00000
     39       9.3203     -0.00000
     40       9.5408     -0.00000
     41      10.5492      0.00000
     42      10.7333      0.00000
     43      10.7920      0.00000
     44      10.9885      0.00000

 k-point    13 :       0.0000    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.0045      2.00000
      2       1.5552      2.00000
      3       1.7944      2.00000
      4       2.0418      2.00000
      5       2.0869      2.00000
      6       2.4889      2.00000
      7       2.5802      2.00000
      8       2.6665      2.00000
      9       2.8111      2.00000
     10       2.9048      2.00000
     11       3.0821      2.00000
     12       3.2809      2.00000
     13       3.3136      2.00000
     14       3.3359      2.00000
     15       3.4466      2.00000
     16       3.7599      2.00001
     17       3.8611      2.00016
     18       4.0042      2.00525
     19       4.0468      2.01168
     20       4.1722      2.05819
     21       5.7703     -0.00000
     22       5.9732     -0.00000
     23       6.1846     -0.00000
     24       6.4615     -0.00000
     25       6.4914     -0.00000
     26       6.5863     -0.00000
     27       6.6013     -0.00000
     28       6.7663     -0.00000
     29       7.1724     -0.00000
     30       7.2559     -0.00000
     31       7.3734     -0.00000
     32       7.4371     -0.00000
     33       8.1776     -0.00000
     34       8.4773     -0.00000
     35       8.9404     -0.00000
     36       9.0668     -0.00000
     37       9.0732     -0.00000
     38       9.5698     -0.00000
     39       9.8286     -0.00000
     40       9.8530     -0.00000
     41      10.0237      0.00000
     42      10.0340      0.00000
     43      10.4060      0.00000
     44      10.4608      0.00000

 k-point    14 :       0.1429    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.0229      2.00000
      2       1.5752      2.00000
      3       1.7559      2.00000
      4       1.8150      2.00000
      5       2.3187      2.00000
      6       2.4358      2.00000
      7       2.5219      2.00000
      8       2.5710      2.00000
      9       2.9513      2.00000
     10       3.0983      2.00000
     11       3.1482      2.00000
     12       3.1921      2.00000
     13       3.3005      2.00000
     14       3.3694      2.00000
     15       3.5883      2.00000
     16       3.6574      2.00000
     17       3.8737      2.00023
     18       3.9614      2.00211
     19       4.0843      2.02137
     20       4.1563      2.05108
     21       5.7147     -0.00000
     22       5.8186     -0.00000
     23       6.1172     -0.00000
     24       6.3533     -0.00000
     25       6.3936     -0.00000
     26       6.4879     -0.00000
     27       6.7080     -0.00000
     28       6.7854     -0.00000
     29       7.1658     -0.00000
     30       7.2604     -0.00000
     31       7.2651     -0.00000
     32       7.4539     -0.00000
     33       8.3382     -0.00000
     34       8.5585     -0.00000
     35       8.9308     -0.00000
     36       9.0280     -0.00000
     37       9.0832     -0.00000
     38       9.5951     -0.00000
     39       9.8435     -0.00000
     40       9.9084     -0.00000
     41       9.9176     -0.00000
     42      10.1229      0.00000
     43      10.6462      0.00000
     44      10.7171      0.00000

 k-point    15 :       0.2857    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.0793      2.00000
      2       1.5092      2.00000
      3       1.6360      2.00000
      4       1.8770      2.00000
      5       2.0797      2.00000
      6       2.3260      2.00000
      7       2.5834      2.00000
      8       2.8646      2.00000
      9       2.9743      2.00000
     10       3.1461      2.00000
     11       3.2880      2.00000
     12       3.3527      2.00000
     13       3.4477      2.00000
     14       3.4769      2.00000
     15       3.5340      2.00000
     16       3.7452      2.00000
     17       3.8084      2.00003
     18       3.9045      2.00053
     19       4.0068      2.00553
     20       4.1185      2.03406
     21       5.4696     -0.00000
     22       5.7725     -0.00000
     23       5.9939     -0.00000
     24       5.9947     -0.00000
     25       6.1391     -0.00000
     26       6.3023     -0.00000
     27       6.7247     -0.00000
     28       7.0440     -0.00000
     29       7.0552     -0.00000
     30       7.1679     -0.00000
     31       7.3074     -0.00000
     32       7.7007     -0.00000
     33       8.3731     -0.00000
     34       8.4509     -0.00000
     35       8.9653     -0.00000
     36       9.0621     -0.00000
     37       9.0964     -0.00000
     38       9.4988     -0.00000
     39       9.9031     -0.00000
     40      10.0986      0.00000
     41      10.1435      0.00000
     42      10.3374      0.00000
     43      10.9706      0.00000
     44      11.1231      0.00000

 k-point    16 :       0.4286    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.1761      2.00000
      2       1.3177      2.00000
      3       1.7388      2.00000
      4       1.8854      2.00000
      5       1.9827      2.00000
      6       2.1314      2.00000
      7       2.6791      2.00000
      8       2.8110      2.00000
      9       3.2133      2.00000
     10       3.3091      2.00000
     11       3.3511      2.00000
     12       3.5019      2.00000
     13       3.5578      2.00000
     14       3.6259      2.00000
     15       3.6389      2.00000
     16       3.6451      2.00000
     17       3.8006      2.00003
     18       3.8654      2.00019
     19       3.8751      2.00024
     20       3.9231      2.00085
     21       5.4408     -0.00000
     22       5.6574     -0.00000
     23       5.7408     -0.00000
     24       5.8052     -0.00000
     25       5.9940     -0.00000
     26       6.1921     -0.00000
     27       6.7554     -0.00000
     28       6.8863     -0.00000
     29       7.1478     -0.00000
     30       7.1947     -0.00000
     31       7.6209     -0.00000
     32       7.9634     -0.00000
     33       8.0457     -0.00000
     34       8.2064     -0.00000
     35       9.0948     -0.00000
     36       9.1569     -0.00000
     37       9.1959     -0.00000
     38       9.3652     -0.00000
     39       9.9073     -0.00000
     40      10.0882      0.00000
     41      10.3974      0.00000
     42      10.4955      0.00000
     43      11.2151      0.00000
     44      11.3228      0.00000

 k-point    17 :       0.0000    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.0385      2.00000
      2       1.3630      2.00000
      3       2.0738      2.00000
      4       2.0770      2.00000
      5       2.1240      2.00000
      6       2.3781      2.00000
      7       2.4770      2.00000
      8       2.5551      2.00000
      9       2.9109      2.00000
     10       3.0654      2.00000
     11       3.0748      2.00000
     12       3.1637      2.00000
     13       3.3612      2.00000
     14       3.5047      2.00000
     15       3.5120      2.00000
     16       3.6705      2.00000
     17       3.8488      2.00012
     18       3.8775      2.00026
     19       3.9362      2.00117
     20       4.0436      2.01104
     21       5.8537     -0.00000
     22       6.0165     -0.00000
     23       6.0753     -0.00000
     24       6.3311     -0.00000
     25       6.5065     -0.00000
     26       6.6165     -0.00000
     27       6.6735     -0.00000
     28       6.7931     -0.00000
     29       7.3981     -0.00000
     30       7.4070     -0.00000
     31       7.4792     -0.00000
     32       7.6260     -0.00000
     33       8.2039     -0.00000
     34       8.3181     -0.00000
     35       8.7555     -0.00000
     36       8.9384     -0.00000
     37       9.2206     -0.00000
     38       9.4231     -0.00000
     39       9.6370     -0.00000
     40       9.7316     -0.00000
     41       9.8404     -0.00000
     42      10.3527      0.00000
     43      10.3787      0.00000
     44      10.9274      0.00000

 k-point    18 :       0.1429    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.0570      2.00000
      2       1.3825      2.00000
      3       1.7912      2.00000
      4       2.0908      2.00000
      5       2.1354      2.00000
      6       2.4676      2.00000
      7       2.5656      2.00000
      8       2.7842      2.00000
      9       2.8480      2.00000
     10       2.9299      2.00000
     11       3.1020      2.00000
     12       3.2079      2.00000
     13       3.4002      2.00000
     14       3.4973      2.00000
     15       3.5913      2.00000
     16       3.6466      2.00000
     17       3.7947      2.00002
     18       3.8649      2.00018
     19       3.9730      2.00273
     20       4.0997      2.02666
     21       5.7506     -0.00000
     22       5.9644     -0.00000
     23       5.9845     -0.00000
     24       6.2277     -0.00000
     25       6.3223     -0.00000
     26       6.6089     -0.00000
     27       6.6496     -0.00000
     28       6.9067     -0.00000
     29       7.2648     -0.00000
     30       7.3900     -0.00000
     31       7.5084     -0.00000
     32       7.6166     -0.00000
     33       8.3743     -0.00000
     34       8.3823     -0.00000
     35       8.8485     -0.00000
     36       8.9175     -0.00000
     37       9.1974     -0.00000
     38       9.4053     -0.00000
     39       9.6261     -0.00000
     40       9.7435     -0.00000
     41       9.9194     -0.00000
     42      10.4260      0.00000
     43      10.5459      0.00000
     44      10.9557      0.00000

 k-point    19 :       0.2857    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.1137      2.00000
      2       1.4417      2.00000
      3       1.5447      2.00000
      4       1.8812      2.00000
      5       2.1655      2.00000
      6       2.6088      2.00000
      7       2.6322      2.00000
      8       2.8865      2.00000
      9       2.9869      2.00000
     10       3.0227      2.00000
     11       3.1607      2.00000
     12       3.1828      2.00000
     13       3.3672      2.00000
     14       3.6045      2.00000
     15       3.6192      2.00000
     16       3.6420      2.00000
     17       3.7935      2.00002
     18       3.9066      2.00056
     19       3.9463      2.00149
     20       4.1114      2.03116
     21       5.4934     -0.00000
     22       5.8357     -0.00000
     23       5.9223     -0.00000
     24       5.9741     -0.00000
     25       6.0358     -0.00000
     26       6.5295     -0.00000
     27       6.5507     -0.00000
     28       7.0297     -0.00000
     29       7.1716     -0.00000
     30       7.4154     -0.00000
     31       7.6198     -0.00000
     32       7.6908     -0.00000
     33       8.3448     -0.00000
     34       8.4627     -0.00000
     35       8.8708     -0.00000
     36       8.9188     -0.00000
     37       9.2691     -0.00000
     38       9.3017     -0.00000
     39       9.6505     -0.00000
     40       9.9977      0.00000
     41      10.1143      0.00000
     42      10.5540      0.00000
     43      10.7730      0.00000
     44      11.1252      0.00000

 k-point    20 :       0.4286    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.2109      2.00000
      2       1.3529      2.00000
      3       1.5426      2.00000
      4       1.6881      2.00000
      5       2.2723      2.00000
      6       2.4223      2.00000
      7       2.7229      2.00000
      8       2.8589      2.00000
      9       3.0731      2.00000
     10       3.1930      2.00000
     11       3.2828      2.00000
     12       3.3948      2.00000
     13       3.4502      2.00000
     14       3.5064      2.00000
     15       3.6848      2.00000
     16       3.7043      2.00000
     17       3.7947      2.00002
     18       3.8824      2.00030
     19       3.9274      2.00095
     20       3.9326      2.00107
     21       5.4147     -0.00000
     22       5.6856     -0.00000
     23       5.6965     -0.00000
     24       5.7755     -0.00000
     25       6.0587     -0.00000
     26       6.3820     -0.00000
     27       6.6117     -0.00000
     28       6.7919     -0.00000
     29       7.3080     -0.00000
     30       7.4607     -0.00000
     31       7.8133     -0.00000
     32       7.9144     -0.00000
     33       8.1779     -0.00000
     34       8.1870     -0.00000
     35       8.9707     -0.00000
     36       9.0369     -0.00000
     37       9.1843     -0.00000
     38       9.3342     -0.00000
     39       9.6180     -0.00000
     40      10.0617      0.00000
     41      10.3622      0.00000
     42      10.5485      0.00000
     43      11.1225      0.00000
     44      11.2312      0.00000

 k-point    21 :       0.0000    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.1078      2.00000
      2       1.2149      2.00000
      3       2.1393      2.00000
      4       2.1980      2.00000
      5       2.2406      2.00000
      6       2.2969      2.00000
      7       2.4281      2.00000
      8       2.6348      2.00000
      9       2.7558      2.00000
     10       2.7575      2.00000
     11       3.3265      2.00000
     12       3.4347      2.00000
     13       3.4698      2.00000
     14       3.5017      2.00000
     15       3.6408      2.00000
     16       3.6431      2.00000
     17       3.6801      2.00000
     18       3.7672      2.00001
     19       3.8091      2.00004
     20       3.8372      2.00008
     21       5.9437     -0.00000
     22       6.0765     -0.00000
     23       6.0981     -0.00000
     24       6.2232     -0.00000
     25       6.3631     -0.00000
     26       6.3754     -0.00000
     27       6.9741     -0.00000
     28       7.1350     -0.00000
     29       7.2547     -0.00000
     30       7.4029     -0.00000
     31       7.7386     -0.00000
     32       8.0564     -0.00000
     33       8.1133     -0.00000
     34       8.3852     -0.00000
     35       8.4368     -0.00000
     36       9.0213     -0.00000
     37       9.1240     -0.00000
     38       9.2001     -0.00000
     39       9.4105     -0.00000
     40       9.5688     -0.00000
     41       9.9380      0.00000
     42      10.0776      0.00000
     43      10.7608      0.00000
     44      10.9554      0.00000

 k-point    22 :       0.1429    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.1266      2.00000
      2       1.2340      2.00000
      3       1.8630      2.00000
      4       1.9731      2.00000
      5       2.4212      2.00000
      6       2.5283      2.00000
      7       2.6271      2.00000
      8       2.6770      2.00000
      9       2.7686      2.00000
     10       2.7945      2.00000
     11       3.1518      2.00000
     12       3.3082      2.00000
     13       3.3900      2.00000
     14       3.5138      2.00000
     15       3.6148      2.00000
     16       3.6986      2.00000
     17       3.7499      2.00001
     18       3.8202      2.00005
     19       3.8488      2.00012
     20       3.9627      2.00217
     21       5.8853     -0.00000
     22       5.9701     -0.00000
     23       6.0204     -0.00000
     24       6.1560     -0.00000
     25       6.1594     -0.00000
     26       6.3678     -0.00000
     27       6.9354     -0.00000
     28       7.1734     -0.00000
     29       7.1987     -0.00000
     30       7.4257     -0.00000
     31       7.7140     -0.00000
     32       8.0590     -0.00000
     33       8.1467     -0.00000
     34       8.5319     -0.00000
     35       8.5810     -0.00000
     36       8.9939     -0.00000
     37       9.0963     -0.00000
     38       9.2014     -0.00000
     39       9.4120     -0.00000
     40       9.5988     -0.00000
     41      10.0169      0.00000
     42      10.1899      0.00000
     43      10.7682      0.00000
     44      10.9801      0.00000

 k-point    23 :       0.2857    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.1838      2.00000
      2       1.2921      2.00000
      3       1.6169      2.00000
      4       1.7282      2.00000
      5       2.4911      2.00000
      6       2.7099      2.00000
      7       2.8162      2.00000
      8       2.8360      2.00000
      9       2.9384      2.00000
     10       2.9861      2.00000
     11       3.0519      2.00000
     12       3.1195      2.00000
     13       3.2144      2.00000
     14       3.3177      2.00000
     15       3.7460      2.00000
     16       3.7463      2.00000
     17       3.8323      2.00007
     18       3.8773      2.00026
     19       3.9451      2.00145
     20       4.0398      2.01032
     21       5.6294     -0.00000
     22       5.8019     -0.00000
     23       5.8021     -0.00000
     24       5.8792     -0.00000
     25       6.1482     -0.00000
     26       6.3374     -0.00000
     27       6.7636     -0.00000
     28       6.9409     -0.00000
     29       7.3930     -0.00000
     30       7.5891     -0.00000
     31       7.7761     -0.00000
     32       8.0976     -0.00000
     33       8.1152     -0.00000
     34       8.5385     -0.00000
     35       8.6935     -0.00000
     36       8.9654     -0.00000
     37       9.0348     -0.00000
     38       9.2245     -0.00000
     39       9.5139     -0.00000
     40       9.7768     -0.00000
     41      10.2086      0.00000
     42      10.4380      0.00000
     43      10.7544      0.00000
     44      11.0221      0.00000

 k-point    24 :       0.4286    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.2819      2.00000
      2       1.3914      2.00000
      3       1.4247      2.00000
      4       1.5354      2.00000
      5       2.6009      2.00000
      6       2.7485      2.00000
      7       2.8115      2.00000
      8       2.9150      2.00000
      9       2.9542      2.00000
     10       2.9583      2.00000
     11       3.0569      2.00000
     12       3.1378      2.00000
     13       3.4089      2.00000
     14       3.4526      2.00000
     15       3.7304      2.00000
     16       3.7562      2.00001
     17       3.8337      2.00007
     18       3.8794      2.00027
     19       3.9444      2.00143
     20       3.9571      2.00191
     21       5.4935     -0.00000
     22       5.6190     -0.00000
     23       5.6595     -0.00000
     24       5.6971     -0.00000
     25       6.2572     -0.00000
     26       6.4373     -0.00000
     27       6.5349     -0.00000
     28       6.6623     -0.00000
     29       7.5544     -0.00000
     30       7.7763     -0.00000
     31       7.7999     -0.00000
     32       8.0567     -0.00000
     33       8.1975     -0.00000
     34       8.4749     -0.00000
     35       8.6295     -0.00000
     36       8.8594     -0.00000
     37       9.0740     -0.00000
     38       9.2761     -0.00000
     39       9.5468     -0.00000
     40       9.8311     -0.00000
     41      10.4664      0.00000
     42      10.6616      0.00000
     43      10.7488      0.00000
     44      10.9572      0.00000

 k-point    25 :       0.0000    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.0835      2.00000
      2       1.6496      2.00000
      3       1.8944      2.00000
      4       2.1234      2.00000
      5       2.1455      2.00000
      6       2.1711      2.00000
      7       2.6448      2.00000
      8       2.7516      2.00000
      9       2.7931      2.00000
     10       2.8606      2.00000
     11       2.9744      2.00000
     12       3.0621      2.00000
     13       3.1502      2.00000
     14       3.1900      2.00000
     15       3.4133      2.00000
     16       3.6175      2.00000
     17       3.7455      2.00000
     18       3.8213      2.00005
     19       3.8911      2.00037
     20       4.2441      2.06598
     21       6.1058     -0.00000
     22       6.1948     -0.00000
     23       6.2779     -0.00000
     24       6.6180     -0.00000
     25       6.8975     -0.00000
     26       7.0141     -0.00000
     27       7.0273     -0.00000
     28       7.0832     -0.00000
     29       7.2762     -0.00000
     30       7.3046     -0.00000
     31       7.3876     -0.00000
     32       7.3910     -0.00000
     33       8.1732     -0.00000
     34       8.6001     -0.00000
     35       8.6208     -0.00000
     36       9.1389     -0.00000
     37       9.2612     -0.00000
     38       9.5887     -0.00000
     39       9.6724     -0.00000
     40       9.7469     -0.00000
     41       9.8613     -0.00000
     42      10.0627      0.00000
     43      10.2196      0.00000
     44      10.3453      0.00000

 k-point    26 :       0.1429    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.1021      2.00000
      2       1.6695      2.00000
      3       1.8391      2.00000
      4       1.9145      2.00000
      5       2.1657      2.00000
      6       2.4075      2.00000
      7       2.5146      2.00000
      8       2.6399      2.00000
      9       2.8131      2.00000
     10       2.8943      2.00000
     11       3.0298      2.00000
     12       3.0827      2.00000
     13       3.2239      2.00000
     14       3.4135      2.00000
     15       3.4636      2.00000
     16       3.4789      2.00000
     17       3.7221      2.00000
     18       3.9029      2.00051
     19       3.9211      2.00081
     20       4.2471      2.06447
     21       5.9803     -0.00000
     22       6.1351     -0.00000
     23       6.1359     -0.00000
     24       6.5205     -0.00000
     25       6.6685     -0.00000
     26       6.9333     -0.00000
     27       6.9814     -0.00000
     28       7.0971     -0.00000
     29       7.2157     -0.00000
     30       7.2760     -0.00000
     31       7.3508     -0.00000
     32       7.5639     -0.00000
     33       8.3210     -0.00000
     34       8.5630     -0.00000
     35       8.7571     -0.00000
     36       9.0554     -0.00000
     37       9.2454     -0.00000
     38       9.4796     -0.00000
     39       9.7732     -0.00000
     40       9.8086     -0.00000
     41       9.9993      0.00000
     42      10.2331      0.00000
     43      10.4237      0.00000
     44      10.5763      0.00000

 k-point    27 :       0.2857    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.1590      2.00000
      2       1.5918      2.00000
      3       1.7298      2.00000
      4       1.9749      2.00000
      5       2.1675      2.00000
      6       2.2289      2.00000
      7       2.4103      2.00000
      8       2.6655      2.00000
      9       2.8494      2.00000
     10       2.9515      2.00000
     11       3.1373      2.00000
     12       3.2635      2.00000
     13       3.3570      2.00000
     14       3.5030      2.00000
     15       3.5185      2.00000
     16       3.5776      2.00000
     17       3.7543      2.00001
     18       3.8676      2.00020
     19       4.0183      2.00693
     20       4.2393      2.06786
     21       5.6211     -0.00000
     22       5.9798     -0.00000
     23       6.0056     -0.00000
     24       6.2224     -0.00000
     25       6.4371     -0.00000
     26       6.7068     -0.00000
     27       6.8829     -0.00000
     28       6.8850     -0.00000
     29       7.2216     -0.00000
     30       7.2863     -0.00000
     31       7.4847     -0.00000
     32       7.7804     -0.00000
     33       8.3237     -0.00000
     34       8.3348     -0.00000
     35       9.0386     -0.00000
     36       9.1198     -0.00000
     37       9.3233     -0.00000
     38       9.5035     -0.00000
     39       9.8495     -0.00000
     40      10.0390      0.00000
     41      10.2489      0.00000
     42      10.5184      0.00000
     43      10.7185      0.00000
     44      10.9600      0.00000

 k-point    28 :       0.4286    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.2567      2.00000
      2       1.3993      2.00000
      3       1.8317      2.00000
      4       1.9772      2.00000
      5       2.0768      2.00000
      6       2.2203      2.00000
      7       2.3323      2.00000
      8       2.4773      2.00000
      9       2.9469      2.00000
     10       3.0707      2.00000
     11       3.2574      2.00000
     12       3.3615      2.00000
     13       3.4596      2.00000
     14       3.6152      2.00000
     15       3.6376      2.00000
     16       3.6731      2.00000
     17       3.7599      2.00001
     18       3.8543      2.00014
     19       4.0035      2.00518
     20       4.1719      2.05806
     21       5.5301     -0.00000
     22       5.7588     -0.00000
     23       5.8336     -0.00000
     24       5.9021     -0.00000
     25       6.5024     -0.00000
     26       6.5648     -0.00000
     27       6.6342     -0.00000
     28       6.7749     -0.00000
     29       7.2625     -0.00000
     30       7.3099     -0.00000
     31       7.7159     -0.00000
     32       7.9275     -0.00000
     33       8.0617     -0.00000
     34       8.0969     -0.00000
     35       9.3075     -0.00000
     36       9.3584     -0.00000
     37       9.4258     -0.00000
     38       9.5413     -0.00000
     39       9.9045     -0.00000
     40      10.2393      0.00000
     41      10.2875      0.00000
     42      10.3725      0.00000
     43      11.0827      0.00000
     44      11.2434      0.00000

 k-point    29 :       0.0000    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.1186      2.00000
      2       1.4526      2.00000
      3       2.1565      2.00000
      4       2.1834      2.00000
      5       2.1886      2.00000
      6       2.2090      2.00000
      7       2.4693      2.00000
      8       2.5637      2.00000
      9       2.5800      2.00000
     10       3.0548      2.00000
     11       3.1749      2.00000
     12       3.2002      2.00000
     13       3.2426      2.00000
     14       3.2890      2.00000
     15       3.3333      2.00000
     16       3.4976      2.00000
     17       3.6120      2.00000
     18       3.8054      2.00003
     19       3.8605      2.00016
     20       4.1435      2.04520
     21       6.0648     -0.00000
     22       6.1242     -0.00000
     23       6.3168     -0.00000
     24       6.3439     -0.00000
     25       6.8779     -0.00000
     26       6.8890     -0.00000
     27       7.0078     -0.00000
     28       7.3228     -0.00000
     29       7.3728     -0.00000
     30       7.5533     -0.00000
     31       7.6177     -0.00000
     32       7.6291     -0.00000
     33       8.2108     -0.00000
     34       8.4051     -0.00000
     35       8.5845     -0.00000
     36       9.0804     -0.00000
     37       9.4053     -0.00000
     38       9.4132     -0.00000
     39       9.6382     -0.00000
     40       9.6794     -0.00000
     41       9.9110     -0.00000
     42      10.1591      0.00000
     43      10.2381      0.00000
     44      10.6109      0.00000

 k-point    30 :       0.1429    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.1374      2.00000
      2       1.4721      2.00000
      3       1.8754      2.00000
      4       2.1857      2.00000
      5       2.2163      2.00000
      6       2.2274      2.00000
      7       2.5464      2.00000
      8       2.6026      2.00000
      9       2.8567      2.00000
     10       2.8667      2.00000
     11       2.9952      2.00000
     12       3.2109      2.00000
     13       3.2970      2.00000
     14       3.3826      2.00000
     15       3.3885      2.00000
     16       3.5466      2.00000
     17       3.7124      2.00000
     18       3.8156      2.00004
     19       3.8691      2.00021
     20       4.1508      2.04855
     21       5.9517     -0.00000
     22       6.0134     -0.00000
     23       6.2056     -0.00000
     24       6.3472     -0.00000
     25       6.5557     -0.00000
     26       6.8034     -0.00000
     27       7.0151     -0.00000
     28       7.2655     -0.00000
     29       7.3424     -0.00000
     30       7.5572     -0.00000
     31       7.6580     -0.00000
     32       7.6691     -0.00000
     33       8.4058     -0.00000
     34       8.4674     -0.00000
     35       8.6494     -0.00000
     36       9.0439     -0.00000
     37       9.2965     -0.00000
     38       9.3903     -0.00000
     39       9.6921     -0.00000
     40       9.7882     -0.00000
     41      10.0093      0.00000
     42      10.3291      0.00000
     43      10.4256      0.00000
     44      10.6815      0.00000

 k-point    31 :       0.2857    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.1945      2.00000
      2       1.5314      2.00000
      3       1.6282      2.00000
      4       1.9704      2.00000
      5       2.2489      2.00000
      6       2.2898      2.00000
      7       2.6503      2.00000
      8       2.6584      2.00000
      9       2.7575      2.00000
     10       2.9597      2.00000
     11       3.0759      2.00000
     12       3.2322      2.00000
     13       3.3043      2.00000
     14       3.4303      2.00000
     15       3.6152      2.00000
     16       3.6371      2.00000
     17       3.7509      2.00001
     18       3.8065      2.00003
     19       3.9849      2.00353
     20       4.1576      2.05171
     21       5.5943     -0.00000
     22       5.8777     -0.00000
     23       6.0055     -0.00000
     24       6.0913     -0.00000
     25       6.3810     -0.00000
     26       6.6051     -0.00000
     27       6.9725     -0.00000
     28       6.9898     -0.00000
     29       7.3955     -0.00000
     30       7.5273     -0.00000
     31       7.7402     -0.00000
     32       7.8158     -0.00000
     33       8.3423     -0.00000
     34       8.4862     -0.00000
     35       8.8687     -0.00000
     36       9.1168     -0.00000
     37       9.3593     -0.00000
     38       9.4977     -0.00000
     39       9.7216     -0.00000
     40       9.9565      0.00000
     41      10.2682      0.00000
     42      10.4547      0.00000
     43      10.7332      0.00000
     44      10.9167      0.00000

 k-point    32 :       0.4286    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.2926      2.00000
      2       1.4355      2.00000
      3       1.6323      2.00000
      4       1.7777      2.00000
      5       2.3400      2.00000
      6       2.4004      2.00000
      7       2.4766      2.00000
      8       2.5646      2.00000
      9       2.7561      2.00000
     10       2.9001      2.00000
     11       3.3392      2.00000
     12       3.4237      2.00000
     13       3.5001      2.00000
     14       3.5562      2.00000
     15       3.5600      2.00000
     16       3.6537      2.00000
     17       3.7107      2.00000
     18       3.8774      2.00026
     19       4.0003      2.00485
     20       4.1194      2.03444
     21       5.4607     -0.00000
     22       5.7395     -0.00000
     23       5.7584     -0.00000
     24       5.7830     -0.00000
     25       6.4477     -0.00000
     26       6.5460     -0.00000
     27       6.6831     -0.00000
     28       6.9278     -0.00000
     29       7.4155     -0.00000
     30       7.5445     -0.00000
     31       7.8673     -0.00000
     32       7.9381     -0.00000
     33       8.1309     -0.00000
     34       8.3186     -0.00000
     35       9.1826     -0.00000
     36       9.2838     -0.00000
     37       9.4188     -0.00000
     38       9.6088     -0.00000
     39       9.6785     -0.00000
     40      10.1431      0.00000
     41      10.3949      0.00000
     42      10.4110      0.00000
     43      10.8366      0.00000
     44      11.0375      0.00000

 k-point    33 :       0.0000    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.1901      2.00000
      2       1.3005      2.00000
      3       2.2237      2.00000
      4       2.2735      2.00000
      5       2.2846      2.00000
      6       2.3301      2.00000
      7       2.3896      2.00000
      8       2.4066      2.00000
      9       2.5346      2.00000
     10       2.8756      2.00000
     11       3.1940      2.00000
     12       3.3063      2.00000
     13       3.3255      2.00000
     14       3.4441      2.00000
     15       3.4513      2.00000
     16       3.5106      2.00000
     17       3.6101      2.00000
     18       3.7190      2.00000
     19       3.7246      2.00000
     20       3.9429      2.00138
     21       6.0079     -0.00000
     22       6.0917     -0.00000
     23       6.2838     -0.00000
     24       6.4938     -0.00000
     25       6.5594     -0.00000
     26       6.6956     -0.00000
     27       7.1554     -0.00000
     28       7.2937     -0.00000
     29       7.5626     -0.00000
     30       7.6611     -0.00000
     31       8.0026     -0.00000
     32       8.0573     -0.00000
     33       8.1872     -0.00000
     34       8.4067     -0.00000
     35       8.5086     -0.00000
     36       9.1120     -0.00000
     37       9.1724     -0.00000
     38       9.2542     -0.00000
     39       9.5413     -0.00000
     40       9.6482     -0.00000
     41       9.7911     -0.00000
     42       9.9405      0.00000
     43      10.7021      0.00000
     44      10.9194      0.00000

 k-point    34 :       0.1429    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.2091      2.00000
      2       1.3197      2.00000
      3       1.9487      2.00000
      4       2.0604      2.00000
      5       2.2962      2.00000
      6       2.4265      2.00000
      7       2.5317      2.00000
      8       2.6129      2.00000
      9       2.7337      2.00000
     10       2.9007      2.00000
     11       2.9975      2.00000
     12       3.1375      2.00000
     13       3.2437      2.00000
     14       3.5088      2.00000
     15       3.5196      2.00000
     16       3.6292      2.00000
     17       3.6920      2.00000
     18       3.7095      2.00000
     19       3.8286      2.00006
     20       3.9583      2.00197
     21       5.9542     -0.00000
     22       6.0091     -0.00000
     23       6.1013     -0.00000
     24       6.3149     -0.00000
     25       6.4674     -0.00000
     26       6.6263     -0.00000
     27       7.1328     -0.00000
     28       7.2366     -0.00000
     29       7.5597     -0.00000
     30       7.6860     -0.00000
     31       7.9465     -0.00000
     32       8.1224     -0.00000
     33       8.2414     -0.00000
     34       8.4704     -0.00000
     35       8.6909     -0.00000
     36       9.0784     -0.00000
     37       9.1415     -0.00000
     38       9.2820     -0.00000
     39       9.5680     -0.00000
     40       9.7401     -0.00000
     41       9.8944     -0.00000
     42      10.0959      0.00000
     43      10.6912      0.00000
     44      10.8874      0.00000

 k-point    35 :       0.2857    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.2667      2.00000
      2       1.3781      2.00000
      3       1.7022      2.00000
      4       1.8155      2.00000
      5       2.3553      2.00000
      6       2.4868      2.00000
      7       2.5987      2.00000
      8       2.7821      2.00000
      9       2.8876      2.00000
     10       2.9580      2.00000
     11       3.0364      2.00000
     12       3.0621      2.00000
     13       3.1259      2.00000
     14       3.3587      2.00000
     15       3.7093      2.00000
     16       3.7112      2.00000
     17       3.7810      2.00001
     18       3.8604      2.00016
     19       3.9379      2.00122
     20       3.9970      2.00454
     21       5.6724     -0.00000
     22       5.7997     -0.00000
     23       5.8886     -0.00000
     24       5.8958     -0.00000
     25       6.4579     -0.00000
     26       6.5277     -0.00000
     27       7.0161     -0.00000
     28       7.0173     -0.00000
     29       7.6145     -0.00000
     30       7.7794     -0.00000
     31       7.9331     -0.00000
     32       8.1530     -0.00000
     33       8.2328     -0.00000
     34       8.5655     -0.00000
     35       8.8055     -0.00000
     36       9.1656     -0.00000
     37       9.1730     -0.00000
     38       9.3589     -0.00000
     39       9.7402     -0.00000
     40       9.9732      0.00000
     41      10.0463      0.00000
     42      10.3562      0.00000
     43      10.6458      0.00000
     44      10.9342      0.00000

 k-point    36 :       0.4286    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.3655      2.00000
      2       1.4778      2.00000
      3       1.5092      2.00000
      4       1.6224      2.00000
      5       2.4539      2.00000
      6       2.5863      2.00000
      7       2.5908      2.00000
      8       2.7169      2.00000
      9       2.7302      2.00000
     10       2.8610      2.00000
     11       3.0615      2.00000
     12       3.2015      2.00000
     13       3.4523      2.00000
     14       3.5022      2.00000
     15       3.7253      2.00000
     16       3.7372      2.00000
     17       3.7767      2.00001
     18       3.9297      2.00100
     19       3.9471      2.00152
     20       4.0192      2.00705
     21       5.4732     -0.00000
     22       5.5959     -0.00000
     23       5.6757     -0.00000
     24       5.6912     -0.00000
     25       6.4951     -0.00000
     26       6.5350     -0.00000
     27       6.7675     -0.00000
     28       6.8783     -0.00000
     29       7.6703     -0.00000
     30       7.8701     -0.00000
     31       7.8734     -0.00000
     32       8.0807     -0.00000
     33       8.2988     -0.00000
     34       8.6789     -0.00000
     35       8.8309     -0.00000
     36       9.0765     -0.00000
     37       9.3355     -0.00000
     38       9.4551     -0.00000
     39       9.8277     -0.00000
     40      10.0932      0.00000
     41      10.2677      0.00000
     42      10.5185      0.00000
     43      10.6328      0.00000
     44      10.8481      0.00000

 k-point    37 :       0.0000    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.2038      2.00000
      2       1.7913      2.00000
      3       1.8365      2.00000
      4       2.0431      2.00000
      5       2.2433      2.00000
      6       2.2939      2.00000
      7       2.4972      2.00000
      8       2.7405      2.00000
      9       2.7689      2.00000
     10       2.8560      2.00000
     11       2.8625      2.00000
     12       2.9091      2.00000
     13       3.0827      2.00000
     14       3.1048      2.00000
     15       3.4144      2.00000
     16       3.4298      2.00000
     17       3.6037      2.00000
     18       3.6175      2.00000
     19       3.6760      2.00000
     20       4.3655      1.74052
     21       6.1314     -0.00000
     22       6.4742     -0.00000
     23       6.5364     -0.00000
     24       7.0791     -0.00000
     25       7.1587     -0.00000
     26       7.2414     -0.00000
     27       7.2523     -0.00000
     28       7.3208     -0.00000
     29       7.4476     -0.00000
     30       7.5282     -0.00000
     31       7.5874     -0.00000
     32       7.8831     -0.00000
     33       8.1470     -0.00000
     34       8.2147     -0.00000
     35       8.6006     -0.00000
     36       9.2203     -0.00000
     37       9.3651     -0.00000
     38       9.3888     -0.00000
     39       9.4913     -0.00000
     40       9.5405     -0.00000
     41       9.6839     -0.00000
     42       9.7344     -0.00000
     43      10.0172      0.00000
     44      10.6939      0.00000

 k-point    38 :       0.1429    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.2228      2.00000
      2       1.8098      2.00000
      3       1.8573      2.00000
      4       1.9639      2.00000
      5       2.0633      2.00000
      6       2.5032      2.00000
      7       2.5191      2.00000
      8       2.6046      2.00000
      9       2.6364      2.00000
     10       2.7964      2.00000
     11       2.7992      2.00000
     12       3.1236      2.00000
     13       3.1904      2.00000
     14       3.2132      2.00000
     15       3.3921      2.00000
     16       3.4310      2.00000
     17       3.6033      2.00000
     18       3.7312      2.00000
     19       3.7835      2.00002
     20       4.3663      1.73614
     21       6.0700     -0.00000
     22       6.1942     -0.00000
     23       6.4125     -0.00000
     24       6.8162     -0.00000
     25       6.8987     -0.00000
     26       7.1507     -0.00000
     27       7.2698     -0.00000
     28       7.2794     -0.00000
     29       7.4021     -0.00000
     30       7.6221     -0.00000
     31       7.6227     -0.00000
     32       7.8547     -0.00000
     33       8.3270     -0.00000
     34       8.4583     -0.00000
     35       8.6644     -0.00000
     36       9.0730     -0.00000
     37       9.1994     -0.00000
     38       9.4288     -0.00000
     39       9.5585     -0.00000
     40       9.7001     -0.00000
     41       9.8993     -0.00000
     42       9.9092     -0.00000
     43      10.2786      0.00000
     44      10.6427      0.00000

 k-point    39 :       0.2857    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.2804      2.00000
      2       1.7165      2.00000
      3       1.8663      2.00000
      4       1.9196      2.00000
      5       2.1238      2.00000
      6       2.2901      2.00000
      7       2.3671      2.00000
      8       2.5654      2.00000
      9       2.5682      2.00000
     10       2.8281      2.00000
     11       2.9732      2.00000
     12       3.0708      2.00000
     13       3.2630      2.00000
     14       3.4319      2.00000
     15       3.5104      2.00000
     16       3.6782      2.00000
     17       3.7143      2.00000
     18       3.8203      2.00005
     19       3.9361      2.00117
     20       4.3471      1.83295
     21       5.7486     -0.00000
     22       5.9174     -0.00000
     23       6.1136     -0.00000
     24       6.3043     -0.00000
     25       6.8175     -0.00000
     26       6.8380     -0.00000
     27       6.9010     -0.00000
     28       7.2367     -0.00000
     29       7.4834     -0.00000
     30       7.7090     -0.00000
     31       7.7561     -0.00000
     32       7.8954     -0.00000
     33       8.2336     -0.00000
     34       8.4394     -0.00000
     35       9.0699     -0.00000
     36       9.1780     -0.00000
     37       9.3580     -0.00000
     38       9.4397     -0.00000
     39       9.6189     -0.00000
     40       9.9791      0.00000
     41      10.2310      0.00000
     42      10.2708      0.00000
     43      10.4460      0.00000
     44      10.7755      0.00000

 k-point    40 :       0.4286    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.3792      2.00000
      2       1.5230      2.00000
      3       1.9627      2.00000
      4       2.0223      2.00000
      5       2.1032      2.00000
      6       2.1721      2.00000
      7       2.2334      2.00000
      8       2.3787      2.00000
      9       2.6603      2.00000
     10       2.7948      2.00000
     11       2.9443      2.00000
     12       3.0776      2.00000
     13       3.5046      2.00000
     14       3.6630      2.00000
     15       3.6970      2.00000
     16       3.7301      2.00000
     17       3.8295      2.00007
     18       3.8989      2.00046
     19       4.0230      2.00758
     20       4.2482      2.06389
     21       5.5733     -0.00000
     22       5.7783     -0.00000
     23       5.8025     -0.00000
     24       5.9234     -0.00000
     25       6.6350     -0.00000
     26       6.6634     -0.00000
     27       6.8625     -0.00000
     28       7.1250     -0.00000
     29       7.5352     -0.00000
     30       7.6516     -0.00000
     31       7.8620     -0.00000
     32       8.0089     -0.00000
     33       8.0238     -0.00000
     34       8.3411     -0.00000
     35       9.2948     -0.00000
     36       9.4202     -0.00000
     37       9.4457     -0.00000
     38       9.5790     -0.00000
     39       9.7446     -0.00000
     40      10.1899      0.00000
     41      10.1921      0.00000
     42      10.3930      0.00000
     43      10.8366      0.00000
     44      11.1338      0.00000

 k-point    41 :       0.0000    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.2405      2.00000
      2       1.5877      2.00000
      3       1.8789      2.00000
      4       2.2551      2.00000
      5       2.2967      2.00000
      6       2.3330      2.00000
      7       2.3388      2.00000
      8       2.5928      2.00000
      9       2.6908      2.00000
     10       2.9022      2.00000
     11       2.9439      2.00000
     12       3.0783      2.00000
     13       3.2469      2.00000
     14       3.2732      2.00000
     15       3.2773      2.00000
     16       3.3261      2.00000
     17       3.4608      2.00000
     18       3.6752      2.00000
     19       3.6892      2.00000
     20       4.1570      2.05141
     21       6.1432     -0.00000
     22       6.3833     -0.00000
     23       6.5204     -0.00000
     24       6.8087     -0.00000
     25       7.0010     -0.00000
     26       7.1166     -0.00000
     27       7.3941     -0.00000
     28       7.5410     -0.00000
     29       7.5682     -0.00000
     30       7.6024     -0.00000
     31       7.6402     -0.00000
     32       8.1178     -0.00000
     33       8.2040     -0.00000
     34       8.2119     -0.00000
     35       8.8043     -0.00000
     36       9.0706     -0.00000
     37       9.3090     -0.00000
     38       9.4287     -0.00000
     39       9.4953     -0.00000
     40       9.6224     -0.00000
     41       9.9065     -0.00000
     42      10.0635      0.00000
     43      10.0639      0.00000
     44      10.7431      0.00000

 k-point    42 :       0.1429    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.2596      2.00000
      2       1.6073      2.00000
      3       1.8987      2.00000
      4       2.0016      2.00000
      5       2.2892      2.00000
      6       2.3378      2.00000
      7       2.3672      2.00000
      8       2.6394      2.00000
      9       2.6663      2.00000
     10       2.9771      2.00000
     11       3.0032      2.00000
     12       3.0506      2.00000
     13       3.1160      2.00000
     14       3.2597      2.00000
     15       3.3909      2.00000
     16       3.5401      2.00000
     17       3.5644      2.00000
     18       3.6347      2.00000
     19       3.7351      2.00000
     20       4.1645      2.05482
     21       6.0666     -0.00000
     22       6.1235     -0.00000
     23       6.4235     -0.00000
     24       6.6333     -0.00000
     25       6.7809     -0.00000
     26       7.0671     -0.00000
     27       7.2944     -0.00000
     28       7.3792     -0.00000
     29       7.5565     -0.00000
     30       7.7140     -0.00000
     31       7.7683     -0.00000
     32       8.1785     -0.00000
     33       8.3280     -0.00000
     34       8.4135     -0.00000
     35       8.7288     -0.00000
     36       9.0927     -0.00000
     37       9.1679     -0.00000
     38       9.5555     -0.00000
     39       9.5725     -0.00000
     40       9.6593     -0.00000
     41      10.0516      0.00000
     42      10.2119      0.00000
     43      10.2255      0.00000
     44      10.7173      0.00000

 k-point    43 :       0.2857    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.3174      2.00000
      2       1.6666      2.00000
      3       1.7544      2.00000
      4       1.9581      2.00000
      5       2.1051      2.00000
      6       2.3494      2.00000
      7       2.3795      2.00000
      8       2.4430      2.00000
      9       2.7799      2.00000
     10       2.8418      2.00000
     11       3.0335      2.00000
     12       3.2001      2.00000
     13       3.3320      2.00000
     14       3.4209      2.00000
     15       3.5162      2.00000
     16       3.5548      2.00000
     17       3.6959      2.00000
     18       3.7698      2.00001
     19       3.8636      2.00018
     20       4.1728      2.05845
     21       5.6927     -0.00000
     22       5.8672     -0.00000
     23       6.0936     -0.00000
     24       6.1063     -0.00000
     25       6.7976     -0.00000
     26       6.8820     -0.00000
     27       7.0172     -0.00000
     28       7.4751     -0.00000
     29       7.5253     -0.00000
     30       7.7182     -0.00000
     31       7.8441     -0.00000
     32       8.1200     -0.00000
     33       8.2801     -0.00000
     34       8.6169     -0.00000
     35       8.9526     -0.00000
     36       9.1899     -0.00000
     37       9.3100     -0.00000
     38       9.6266     -0.00000
     39       9.6609     -0.00000
     40       9.8127     -0.00000
     41      10.2047      0.00000
     42      10.3885      0.00000
     43      10.5285      0.00000
     44      10.8118      0.00000

 k-point    44 :       0.4286    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.4165      2.00000
      2       1.5607      2.00000
      3       1.7672      2.00000
      4       1.9119      2.00000
      5       2.0608      2.00000
      6       2.2046      2.00000
      7       2.4497      2.00000
      8       2.5271      2.00000
      9       2.5966      2.00000
     10       2.6673      2.00000
     11       3.2035      2.00000
     12       3.3095      2.00000
     13       3.5024      2.00000
     14       3.5865      2.00000
     15       3.6176      2.00000
     16       3.6653      2.00000
     17       3.7119      2.00000
     18       3.8744      2.00024
     19       3.9874      2.00372
     20       4.1349      2.04126
     21       5.4866     -0.00000
     22       5.6795     -0.00000
     23       5.7346     -0.00000
     24       5.7371     -0.00000
     25       6.7619     -0.00000
     26       6.8307     -0.00000
     27       6.8539     -0.00000
     28       7.4964     -0.00000
     29       7.5721     -0.00000
     30       7.6607     -0.00000
     31       7.9231     -0.00000
     32       8.0573     -0.00000
     33       8.0649     -0.00000
     34       8.6333     -0.00000
     35       9.2549     -0.00000
     36       9.3775     -0.00000
     37       9.5107     -0.00000
     38       9.6411     -0.00000
     39       9.6746     -0.00000
     40       9.9789      0.00000
     41      10.2656      0.00000
     42      10.4132      0.00000
     43      10.6594      0.00000
     44      10.8351      0.00000

 k-point    45 :       0.0000    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.3152      2.00000
      2       1.4299      2.00000
      3       1.9644      2.00000
      4       2.0939      2.00000
      5       2.3516      2.00000
      6       2.4109      2.00000
      7       2.4559      2.00000
      8       2.5219      2.00000
      9       2.6869      2.00000
     10       2.9872      2.00000
     11       3.0101      2.00000
     12       3.0412      2.00000
     13       3.1072      2.00000
     14       3.2038      2.00000
     15       3.4429      2.00000
     16       3.4752      2.00000
     17       3.5270      2.00000
     18       3.6438      2.00000
     19       3.6604      2.00000
     20       3.8283      2.00006
     21       6.2285     -0.00000
     22       6.3372     -0.00000
     23       6.5783     -0.00000
     24       6.6350     -0.00000
     25       6.7500     -0.00000
     26       6.7819     -0.00000
     27       7.4965     -0.00000
     28       7.5525     -0.00000
     29       7.7946     -0.00000
     30       7.8156     -0.00000
     31       7.9026     -0.00000
     32       8.0054     -0.00000
     33       8.5180     -0.00000
     34       8.5190     -0.00000
     35       8.7110     -0.00000
     36       9.1354     -0.00000
     37       9.1840     -0.00000
     38       9.2890     -0.00000
     39       9.5430     -0.00000
     40       9.6770     -0.00000
     41       9.7801     -0.00000
     42      10.0690      0.00000
     43      10.5707      0.00000
     44      10.7824      0.00000

 k-point    46 :       0.1429    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.3344      2.00000
      2       1.4493      2.00000
      3       1.9842      2.00000
      4       2.0767      2.00000
      5       2.1150      2.00000
      6       2.1923      2.00000
      7       2.6638      2.00000
      8       2.7294      2.00000
      9       2.7521      2.00000
     10       2.8486      2.00000
     11       2.8600      2.00000
     12       3.0798      2.00000
     13       3.2701      2.00000
     14       3.3805      2.00000
     15       3.3941      2.00000
     16       3.4880      2.00000
     17       3.5996      2.00000
     18       3.6564      2.00000
     19       3.6881      2.00000
     20       3.8433      2.00010
     21       6.1235     -0.00000
     22       6.1551     -0.00000
     23       6.3061     -0.00000
     24       6.3882     -0.00000
     25       6.7820     -0.00000
     26       6.8882     -0.00000
     27       7.3714     -0.00000
     28       7.3831     -0.00000
     29       7.7767     -0.00000
     30       7.8662     -0.00000
     31       7.9910     -0.00000
     32       8.1750     -0.00000
     33       8.4703     -0.00000
     34       8.6392     -0.00000
     35       8.7286     -0.00000
     36       9.1745     -0.00000
     37       9.2526     -0.00000
     38       9.2816     -0.00000
     39       9.6086     -0.00000
     40       9.7953     -0.00000
     41       9.8703     -0.00000
     42      10.1316      0.00000
     43      10.5677      0.00000
     44      10.7255      0.00000

 k-point    47 :       0.2857    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.3927      2.00000
      2       1.5082      2.00000
      3       1.8309      2.00000
      4       1.9469      2.00000
      5       2.0453      2.00000
      6       2.1749      2.00000
      7       2.4804      2.00000
      8       2.6121      2.00000
      9       2.7659      2.00000
     10       3.0747      2.00000
     11       3.1339      2.00000
     12       3.1764      2.00000
     13       3.2338      2.00000
     14       3.4072      2.00000
     15       3.5558      2.00000
     16       3.6173      2.00000
     17       3.6397      2.00000
     18       3.7771      2.00001
     19       3.7849      2.00002
     20       3.8878      2.00034
     21       5.7235     -0.00000
     22       5.8372     -0.00000
     23       5.9243     -0.00000
     24       5.9835     -0.00000
     25       6.8366     -0.00000
     26       6.8685     -0.00000
     27       7.1807     -0.00000
     28       7.3359     -0.00000
     29       7.7751     -0.00000
     30       7.8827     -0.00000
     31       7.9796     -0.00000
     32       8.2324     -0.00000
     33       8.4575     -0.00000
     34       8.7052     -0.00000
     35       8.9113     -0.00000
     36       9.2636     -0.00000
     37       9.3499     -0.00000
     38       9.4297     -0.00000
     39       9.7254     -0.00000
     40       9.9384      0.00000
     41      10.0361      0.00000
     42      10.3194      0.00000
     43      10.5433      0.00000
     44      10.8337      0.00000

 k-point    48 :       0.4286    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.4924      2.00000
      2       1.6086      2.00000
      3       1.6372      2.00000
      4       1.7539      2.00000
      5       2.1464      2.00000
      6       2.2764      2.00000
      7       2.2923      2.00000
      8       2.4240      2.00000
      9       2.8595      2.00000
     10       2.9889      2.00000
     11       3.1982      2.00000
     12       3.3021      2.00000
     13       3.4631      2.00000
     14       3.5531      2.00000
     15       3.5789      2.00000
     16       3.6907      2.00000
     17       3.7029      2.00000
     18       3.8703      2.00021
     19       3.8822      2.00030
     20       3.9489      2.00158
     21       5.4611     -0.00000
     22       5.5427     -0.00000
     23       5.6236     -0.00000
     24       5.6565     -0.00000
     25       6.8344     -0.00000
     26       6.8611     -0.00000
     27       7.0822     -0.00000
     28       7.3429     -0.00000
     29       7.8117     -0.00000
     30       7.8996     -0.00000
     31       7.9355     -0.00000
     32       8.0693     -0.00000
     33       8.4583     -0.00000
     34       8.9241     -0.00000
     35       8.9720     -0.00000
     36       9.1998     -0.00000
     37       9.5047     -0.00000
     38       9.5700     -0.00000
     39       9.7745     -0.00000
     40       9.9358      0.00000
     41      10.2011      0.00000
     42      10.5010      0.00000
     43      10.6001      0.00000
     44      10.8566      0.00000

 k-point    49 :       0.0000    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.3677      2.00000
      2       1.5778      2.00000
      3       1.9796      2.00000
      4       2.2090      2.00000
      5       2.2362      2.00000
      6       2.3978      2.00000
      7       2.4504      2.00000
      8       2.5218      2.00000
      9       2.6280      2.00000
     10       2.6505      2.00000
     11       2.9658      2.00000
     12       3.0390      2.00000
     13       3.1756      2.00000
     14       3.1996      2.00000
     15       3.2271      2.00000
     16       3.2416      2.00000
     17       3.3876      2.00000
     18       3.4106      2.00000
     19       3.9165      2.00072
     20       4.1904      2.06523
     21       6.3844     -0.00000
     22       6.5996     -0.00000
     23       6.8432     -0.00000
     24       7.1348     -0.00000
     25       7.2196     -0.00000
     26       7.2401     -0.00000
     27       7.2575     -0.00000
     28       7.4029     -0.00000
     29       7.7544     -0.00000
     30       7.7879     -0.00000
     31       7.8028     -0.00000
     32       8.0677     -0.00000
     33       8.2202     -0.00000
     34       8.4495     -0.00000
     35       8.7245     -0.00000
     36       9.0893     -0.00000
     37       9.1764     -0.00000
     38       9.3738     -0.00000
     39       9.4822     -0.00000
     40       9.4913     -0.00000
     41       9.5148     -0.00000
     42       9.6522     -0.00000
     43       9.6661     -0.00000
     44       9.9332      0.00000

 k-point    50 :       0.1429    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.3869      2.00000
      2       1.5971      2.00000
      3       1.9993      2.00000
      4       2.1257      2.00000
      5       2.2395      2.00000
      6       2.2496      2.00000
      7       2.3524      2.00000
      8       2.5001      2.00000
      9       2.7204      2.00000
     10       2.7979      2.00000
     11       2.9224      2.00000
     12       2.9491      2.00000
     13       3.0367      2.00000
     14       3.1824      2.00000
     15       3.3080      2.00000
     16       3.4770      2.00000
     17       3.4790      2.00000
     18       3.6080      2.00000
     19       3.9419      2.00134
     20       4.2012      2.06838
     21       6.2379     -0.00000
     22       6.3081     -0.00000
     23       6.6356     -0.00000
     24       6.7817     -0.00000
     25       7.0898     -0.00000
     26       7.1211     -0.00000
     27       7.2899     -0.00000
     28       7.3434     -0.00000
     29       7.7256     -0.00000
     30       7.7528     -0.00000
     31       8.0554     -0.00000
     32       8.2921     -0.00000
     33       8.3290     -0.00000
     34       8.6145     -0.00000
     35       8.7070     -0.00000
     36       8.9973     -0.00000
     37       9.0385     -0.00000
     38       9.3374     -0.00000
     39       9.3923     -0.00000
     40       9.6456     -0.00000
     41       9.7168     -0.00000
     42       9.7760     -0.00000
     43       9.9580      0.00000
     44      10.1370      0.00000

 k-point    51 :       0.2857    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.4453      2.00000
      2       1.6559      2.00000
      3       1.8835      2.00000
      4       2.0523      2.00000
      5       2.1011      2.00000
      6       2.2948      2.00000
      7       2.3227      2.00000
      8       2.4935      2.00000
      9       2.5581      2.00000
     10       2.7179      2.00000
     11       2.7401      2.00000
     12       2.9603      2.00000
     13       3.2257      2.00000
     14       3.3617      2.00000
     15       3.5902      2.00000
     16       3.6968      2.00000
     17       3.7292      2.00000
     18       3.7759      2.00001
     19       4.0108      2.00599
     20       4.2174      2.07084
     21       5.8493     -0.00000
     22       5.9097     -0.00000
     23       6.1808     -0.00000
     24       6.2517     -0.00000
     25       6.9665     -0.00000
     26       7.0145     -0.00000
     27       7.0868     -0.00000
     28       7.1914     -0.00000
     29       7.7494     -0.00000
     30       7.7839     -0.00000
     31       8.1556     -0.00000
     32       8.1955     -0.00000
     33       8.4591     -0.00000
     34       8.8501     -0.00000
     35       9.0062     -0.00000
     36       9.0099     -0.00000
     37       9.1472     -0.00000
     38       9.3707     -0.00000
     39       9.3762     -0.00000
     40       9.7125     -0.00000
     41      10.0438      0.00000
     42      10.0855      0.00000
     43      10.3729      0.00000
     44      10.5723      0.00000

 k-point    52 :       0.4286    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.5451      2.00000
      2       1.6899      2.00000
      3       1.7560      2.00000
      4       1.9001      2.00000
      5       2.1625      2.00000
      6       2.3061      2.00000
      7       2.3925      2.00000
      8       2.4214      2.00000
      9       2.5327      2.00000
     10       2.5623      2.00000
     11       2.6610      2.00000
     12       2.7975      2.00000
     13       3.5887      2.00000
     14       3.6512      2.00000
     15       3.7386      2.00000
     16       3.7624      2.00001
     17       3.9057      2.00055
     18       3.9744      2.00282
     19       4.0210      2.00729
     20       4.1688      2.05675
     21       5.6121     -0.00000
     22       5.6927     -0.00000
     23       5.7811     -0.00000
     24       5.8331     -0.00000
     25       6.8638     -0.00000
     26       6.9058     -0.00000
     27       6.9713     -0.00000
     28       7.0879     -0.00000
     29       7.8115     -0.00000
     30       7.8596     -0.00000
     31       7.9730     -0.00000
     32       7.9965     -0.00000
     33       8.6179     -0.00000
     34       8.8892     -0.00000
     35       9.1794     -0.00000
     36       9.2016     -0.00000
     37       9.3439     -0.00000
     38       9.3573     -0.00000
     39       9.4601     -0.00000
     40       9.6503     -0.00000
     41      10.3472      0.00000
     42      10.5637      0.00000
     43      10.6267      0.00000
     44      10.9406      0.00000

 k-point    53 :       0.0000    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.4064      2.00000
      2       1.6184      2.00000
      3       1.7689      2.00000
      4       1.9960      2.00000
      5       2.4480      2.00000
      6       2.4907      2.00000
      7       2.5209      2.00000
      8       2.6580      2.00000
      9       2.7118      2.00000
     10       2.8112      2.00000
     11       2.8167      2.00000
     12       2.8597      2.00000
     13       3.0111      2.00000
     14       3.0566      2.00000
     15       3.3811      2.00000
     16       3.4282      2.00000
     17       3.5213      2.00000
     18       3.5477      2.00000
     19       3.6817      2.00000
     20       3.9464      2.00149
     21       6.4214     -0.00000
     22       6.5736     -0.00000
     23       6.6321     -0.00000
     24       6.8534     -0.00000
     25       7.2771     -0.00000
     26       7.3065     -0.00000
     27       7.4949     -0.00000
     28       7.5575     -0.00000
     29       7.6288     -0.00000
     30       7.6314     -0.00000
     31       7.7924     -0.00000
     32       8.0011     -0.00000
     33       8.3656     -0.00000
     34       8.7143     -0.00000
     35       8.8464     -0.00000
     36       9.0697     -0.00000
     37       9.2301     -0.00000
     38       9.2554     -0.00000
     39       9.5297     -0.00000
     40       9.7117     -0.00000
     41       9.8237     -0.00000
     42       9.8465     -0.00000
     43       9.8588     -0.00000
     44      10.1855      0.00000

 k-point    54 :       0.1429    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.4256      2.00000
      2       1.6378      2.00000
      3       1.7888      2.00000
      4       2.0154      2.00000
      5       2.1719      2.00000
      6       2.3728      2.00000
      7       2.5268      2.00000
      8       2.5780      2.00000
      9       2.7332      2.00000
     10       2.7746      2.00000
     11       2.9046      2.00000
     12       3.0172      2.00000
     13       3.1437      2.00000
     14       3.2321      2.00000
     15       3.3086      2.00000
     16       3.4055      2.00000
     17       3.5938      2.00000
     18       3.6538      2.00000
     19       3.7169      2.00000
     20       3.9622      2.00215
     21       6.2383     -0.00000
     22       6.2473     -0.00000
     23       6.5465     -0.00000
     24       6.6167     -0.00000
     25       7.0964     -0.00000
     26       7.1085     -0.00000
     27       7.4771     -0.00000
     28       7.5122     -0.00000
     29       7.7443     -0.00000
     30       7.8504     -0.00000
     31       7.9399     -0.00000
     32       8.0952     -0.00000
     33       8.4182     -0.00000
     34       8.6816     -0.00000
     35       8.8479     -0.00000
     36       9.0774     -0.00000
     37       9.1583     -0.00000
     38       9.3088     -0.00000
     39       9.6421     -0.00000
     40       9.7417     -0.00000
     41       9.7687     -0.00000
     42       9.9765      0.00000
     43      10.1755      0.00000
     44      10.3237      0.00000

 k-point    55 :       0.2857    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.4843      2.00000
      2       1.6968      2.00000
      3       1.8489      2.00000
      4       1.9230      2.00000
      5       2.0782      2.00000
      6       2.1353      2.00000
      7       2.2912      2.00000
      8       2.5143      2.00000
      9       2.6266      2.00000
     10       2.8603      2.00000
     11       3.0035      2.00000
     12       3.1737      2.00000
     13       3.2951      2.00000
     14       3.3875      2.00000
     15       3.4958      2.00000
     16       3.5768      2.00000
     17       3.7190      2.00000
     18       3.7481      2.00000
     19       3.8308      2.00007
     20       4.0035      2.00518
     21       5.7911     -0.00000
     22       5.8652     -0.00000
     23       6.0899     -0.00000
     24       6.0944     -0.00000
     25       7.0846     -0.00000
     26       7.1018     -0.00000
     27       7.2590     -0.00000
     28       7.4178     -0.00000
     29       7.7934     -0.00000
     30       7.8556     -0.00000
     31       8.1203     -0.00000
     32       8.2196     -0.00000
     33       8.4097     -0.00000
     34       8.7710     -0.00000
     35       8.9579     -0.00000
     36       9.1414     -0.00000
     37       9.2197     -0.00000
     38       9.3912     -0.00000
     39       9.6846     -0.00000
     40       9.8770     -0.00000
     41       9.9079     -0.00000
     42      10.1068      0.00000
     43      10.5175      0.00000
     44      10.7289      0.00000

 k-point    56 :       0.4286    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.5844      2.00000
      2       1.7296      2.00000
      3       1.7969      2.00000
      4       1.9348      2.00000
      5       1.9591      2.00000
      6       2.0993      2.00000
      7       2.1786      2.00000
      8       2.3255      2.00000
      9       2.7193      2.00000
     10       2.8493      2.00000
     11       2.9514      2.00000
     12       3.0706      2.00000
     13       3.5880      2.00000
     14       3.6409      2.00000
     15       3.6773      2.00000
     16       3.7045      2.00000
     17       3.7836      2.00002
     18       3.8976      2.00045
     19       3.9054      2.00054
     20       4.0222      2.00747
     21       5.5167     -0.00000
     22       5.5856     -0.00000
     23       5.6759     -0.00000
     24       5.6835     -0.00000
     25       7.0748     -0.00000
     26       7.1202     -0.00000
     27       7.1295     -0.00000
     28       7.3700     -0.00000
     29       7.8069     -0.00000
     30       7.8813     -0.00000
     31       8.0510     -0.00000
     32       8.0674     -0.00000
     33       8.4349     -0.00000
     34       8.9920     -0.00000
     35       9.0643     -0.00000
     36       9.3100     -0.00000
     37       9.3473     -0.00000
     38       9.4959     -0.00000
     39       9.5405     -0.00000
     40       9.7689     -0.00000
     41      10.1270      0.00000
     42      10.3387      0.00000
     43      10.6516      0.00000
     44      10.8975      0.00000

 k-point    57 :       0.0000    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.4847      2.00000
      2       1.6047      2.00000
      3       1.7006      2.00000
      4       1.8259      2.00000
      5       2.5219      2.00000
      6       2.5706      2.00000
      7       2.6224      2.00000
      8       2.6779      2.00000
      9       2.7332      2.00000
     10       2.7836      2.00000
     11       2.8582      2.00000
     12       2.8905      2.00000
     13       2.9609      2.00000
     14       3.1893      2.00000
     15       3.3205      2.00000
     16       3.5106      2.00000
     17       3.5615      2.00000
     18       3.5988      2.00000
     19       3.6004      2.00000
     20       3.6015      2.00000
     21       6.4670     -0.00000
     22       6.5066     -0.00000
     23       6.5643     -0.00000
     24       6.6468     -0.00000
     25       7.1048     -0.00000
     26       7.1312     -0.00000
     27       7.4668     -0.00000
     28       7.5301     -0.00000
     29       7.9288     -0.00000
     30       7.9544     -0.00000
     31       7.9750     -0.00000
     32       8.0124     -0.00000
     33       8.5101     -0.00000
     34       8.7019     -0.00000
     35       8.8144     -0.00000
     36       8.9421     -0.00000
     37       9.2632     -0.00000
     38       9.3977     -0.00000
     39       9.4308     -0.00000
     40       9.5425     -0.00000
     41      10.2269      0.00000
     42      10.3465      0.00000
     43      10.4006      0.00000
     44      10.5651      0.00000

 k-point    58 :       0.1429    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.5041      2.00000
      2       1.6243      2.00000
      3       1.7203      2.00000
      4       1.8457      2.00000
      5       2.2500      2.00000
      6       2.3672      2.00000
      7       2.4641      2.00000
      8       2.5858      2.00000
      9       2.8871      2.00000
     10       2.8953      2.00000
     11       3.0058      2.00000
     12       3.1352      2.00000
     13       3.1380      2.00000
     14       3.2352      2.00000
     15       3.3714      2.00000
     16       3.4309      2.00000
     17       3.5626      2.00000
     18       3.6085      2.00000
     19       3.6115      2.00000
     20       3.6321      2.00000
     21       6.2568     -0.00000
     22       6.2649     -0.00000
     23       6.3872     -0.00000
     24       6.4100     -0.00000
     25       7.1285     -0.00000
     26       7.1655     -0.00000
     27       7.4408     -0.00000
     28       7.4853     -0.00000
     29       7.9515     -0.00000
     30       7.9649     -0.00000
     31       8.0228     -0.00000
     32       8.0782     -0.00000
     33       8.6269     -0.00000
     34       8.6701     -0.00000
     35       8.8339     -0.00000
     36       9.0648     -0.00000
     37       9.2951     -0.00000
     38       9.3572     -0.00000
     39       9.5246     -0.00000
     40       9.6088     -0.00000
     41      10.2282      0.00000
     42      10.3385      0.00000
     43      10.4997      0.00000
     44      10.6721      0.00000

 k-point    59 :       0.2857    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.5632      2.00000
      2       1.6836      2.00000
      3       1.7801      2.00000
      4       1.9051      2.00000
      5       2.0053      2.00000
      6       2.1247      2.00000
      7       2.2229      2.00000
      8       2.3479      2.00000
      9       2.9617      2.00000
     10       3.1442      2.00000
     11       3.2450      2.00000
     12       3.2587      2.00000
     13       3.3575      2.00000
     14       3.3973      2.00000
     15       3.4822      2.00000
     16       3.5018      2.00000
     17       3.5603      2.00000
     18       3.6556      2.00000
     19       3.6607      2.00000
     20       3.7040      2.00000
     21       5.8004     -0.00000
     22       5.8617     -0.00000
     23       5.9237     -0.00000
     24       5.9648     -0.00000
     25       7.1982     -0.00000
     26       7.2108     -0.00000
     27       7.4135     -0.00000
     28       7.4886     -0.00000
     29       7.8997     -0.00000
     30       7.9340     -0.00000
     31       8.0105     -0.00000
     32       8.1818     -0.00000
     33       8.7185     -0.00000
     34       8.7454     -0.00000
     35       8.9543     -0.00000
     36       9.1739     -0.00000
     37       9.3488     -0.00000
     38       9.3702     -0.00000
     39       9.6021     -0.00000
     40       9.6590     -0.00000
     41      10.3134      0.00000
     42      10.4424      0.00000
     43      10.6305      0.00000
     44      10.8306      0.00000

 k-point    60 :       0.4286    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.6638      2.00000
      2       1.7844      2.00000
      3       1.8095      2.00000
      4       1.8796      2.00000
      5       1.9337      2.00000
      6       2.0084      2.00000
      7       2.0296      2.00000
      8       2.1557      2.00000
      9       3.0461      2.00000
     10       3.1537      2.00000
     11       3.2458      2.00000
     12       3.2995      2.00000
     13       3.4539      2.00000
     14       3.4920      2.00000
     15       3.5430      2.00000
     16       3.6161      2.00000
     17       3.7202      2.00000
     18       3.7983      2.00003
     19       3.8264      2.00006
     20       3.8339      2.00007
     21       5.4754     -0.00000
     22       5.5244     -0.00000
     23       5.5429     -0.00000
     24       5.5786     -0.00000
     25       7.2253     -0.00000
     26       7.2544     -0.00000
     27       7.4054     -0.00000
     28       7.5396     -0.00000
     29       7.8778     -0.00000
     30       7.9322     -0.00000
     31       7.9623     -0.00000
     32       8.1124     -0.00000
     33       8.6623     -0.00000
     34       8.9338     -0.00000
     35       9.1077     -0.00000
     36       9.1512     -0.00000
     37       9.4012     -0.00000
     38       9.4506     -0.00000
     39       9.5423     -0.00000
     40       9.6065     -0.00000
     41      10.4082      0.00000
     42      10.5741      0.00000
     43      10.7272      0.00000
     44      10.9114      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
  1.204   5.375  -0.004   0.012   0.004
  5.375  22.973  -0.014   0.046   0.015
 -0.004  -0.014  -0.240  -0.001   0.002
  0.012   0.046  -0.001  -0.249  -0.000
  0.004   0.015   0.002  -0.000  -0.241
 total augmentation occupancy for first ion, spin component:           1
  2.387  -0.037   0.037  -0.112  -0.038
 -0.037   0.001  -0.002   0.003   0.002
  0.037  -0.002   0.222  -0.007   0.011
 -0.112   0.003  -0.007   0.139   0.002
 -0.038   0.002   0.011   0.002   0.210


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


    CHARGE:  cpu time    0.1651: real time    0.1651
    FORLOC:  cpu time    0.0090: real time    0.0090
    FORNL :  cpu time   12.5297: real time   12.5309
    STRESS:  cpu time    4.6846: real time    4.6850
    FORCOR:  cpu time    0.0300: real time    0.0300
    FORHAR:  cpu time    0.0238: real time    0.0238
    MIXING:  cpu time    0.0042: real time    0.0042
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    14.68227    14.68227    14.68227
  Ewald    -143.62330  -148.60390  -130.65992     0.00000     0.00000    -0.00000
  Hartree     1.18671     0.69634     1.06403    -0.00000    -0.00000     0.00000
  E(xc)    -108.59101  -109.01507  -107.83208     0.00000     0.00000    -0.00000
  Local       7.58898     2.30844    11.59849     0.00000     0.00000    -0.00000
  n-local   130.44829   131.06465   127.99507     0.01911     0.07415    -0.21330
  augment     7.40746     7.55216     7.07851    -0.00000    -0.00000     0.00000
  Kinetic   215.91157   225.88597   200.85453     0.06999    -1.12616    -0.90446
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     125.01096   124.57087   124.78090     0.00000     0.00000     0.00000
  in kB     701.58564   699.11577   700.29454     0.00000     0.00000     0.00000
  external pressure =        0.33 kB  Pullay stress =      700.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      650.00
  volume of cell :      285.48
      direct lattice vectors                 reciprocal lattice vectors
     6.881632370  0.000000000  0.000000000     0.145314359  0.000000000  0.000000000
     0.000000000  8.172515536  0.000000000     0.000000000  0.122361346  0.000000000
     0.000000000  0.000000000  5.076106758     0.000000000  0.000000000  0.197001373

  length of vectors
     6.881632370  8.172515536  5.076106758     0.145314359  0.122361346  0.197001373


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.198E-01 0.789E-01 -.243E+00   -.454E+00 0.373E+00 -.122E+01   0.462E+00 -.443E+00 0.142E+01   -.388E-06 0.139E-06 0.354E-06
   0.198E-01 -.789E-01 -.243E+00   0.454E+00 -.373E+00 -.122E+01   -.462E+00 0.443E+00 0.142E+01   0.388E-06 -.140E-06 0.354E-06
   -.198E-01 -.789E-01 -.243E+00   -.454E+00 -.373E+00 -.122E+01   0.462E+00 0.443E+00 0.142E+01   -.388E-06 -.139E-06 0.354E-06
   0.198E-01 0.789E-01 -.243E+00   0.454E+00 0.373E+00 -.122E+01   -.462E+00 -.443E+00 0.142E+01   0.388E-06 0.139E-06 0.354E-06
   -.198E-01 0.789E-01 -.243E+00   -.454E+00 0.373E+00 -.122E+01   0.462E+00 -.443E+00 0.142E+01   -.388E-06 0.139E-06 0.354E-06
   0.198E-01 -.789E-01 -.243E+00   0.454E+00 -.373E+00 -.122E+01   -.462E+00 0.443E+00 0.142E+01   0.388E-06 -.139E-06 0.354E-06
   -.198E-01 -.789E-01 -.243E+00   -.454E+00 -.373E+00 -.122E+01   0.462E+00 0.443E+00 0.142E+01   -.388E-06 -.140E-06 0.354E-06
   0.198E-01 0.789E-01 -.243E+00   0.454E+00 0.373E+00 -.122E+01   -.462E+00 -.443E+00 0.142E+01   0.388E-06 0.139E-06 0.354E-06
   -.194E-01 -.139E-01 0.128E+00   -.481E-01 -.249E+00 0.758E+00   0.689E-01 0.255E+00 -.867E+00   0.419E-06 -.440E-07 -.238E-06
   0.194E-01 0.139E-01 0.128E+00   0.481E-01 0.249E+00 0.758E+00   -.689E-01 -.255E+00 -.867E+00   -.419E-06 0.436E-07 -.238E-06
   -.194E-01 0.139E-01 0.128E+00   -.481E-01 0.249E+00 0.758E+00   0.689E-01 -.255E+00 -.867E+00   0.419E-06 0.438E-07 -.238E-06
   0.194E-01 -.139E-01 0.128E+00   0.481E-01 -.249E+00 0.758E+00   -.689E-01 0.255E+00 -.867E+00   -.419E-06 -.434E-07 -.238E-06
   -.194E-01 -.139E-01 0.128E+00   -.481E-01 -.249E+00 0.758E+00   0.689E-01 0.255E+00 -.867E+00   0.419E-06 -.434E-07 -.238E-06
   0.194E-01 0.139E-01 0.128E+00   0.481E-01 0.249E+00 0.758E+00   -.689E-01 -.255E+00 -.867E+00   -.419E-06 0.438E-07 -.238E-06
   -.194E-01 0.139E-01 0.128E+00   -.481E-01 0.249E+00 0.758E+00   0.689E-01 -.255E+00 -.867E+00   0.419E-06 0.436E-07 -.238E-06
   0.194E-01 -.139E-01 0.128E+00   0.481E-01 -.249E+00 0.758E+00   -.689E-01 0.255E+00 -.867E+00   -.419E-06 -.440E-07 -.238E-06
   -.270E+00 -.173E+00 0.952E-02   -.661E+00 -.314E-01 0.825E-01   0.912E+00 0.204E+00 -.881E-01   -.252E-06 0.457E-06 -.232E-06
   0.270E+00 0.173E+00 0.952E-02   0.661E+00 0.314E-01 0.825E-01   -.912E+00 -.204E+00 -.881E-01   0.252E-06 -.457E-06 -.232E-06
   -.270E+00 0.173E+00 0.952E-02   -.661E+00 0.314E-01 0.825E-01   0.912E+00 -.204E+00 -.881E-01   -.252E-06 -.457E-06 -.232E-06
   0.270E+00 -.173E+00 0.952E-02   0.661E+00 -.314E-01 0.825E-01   -.912E+00 0.204E+00 -.881E-01   0.252E-06 0.457E-06 -.232E-06
   -.270E+00 -.173E+00 0.952E-02   -.661E+00 -.314E-01 0.825E-01   0.912E+00 0.204E+00 -.881E-01   -.252E-06 0.457E-06 -.232E-06
   0.270E+00 0.173E+00 0.952E-02   0.661E+00 0.314E-01 0.825E-01   -.912E+00 -.204E+00 -.881E-01   0.252E-06 -.457E-06 -.232E-06
   -.270E+00 0.173E+00 0.951E-02   -.661E+00 0.314E-01 0.825E-01   0.912E+00 -.204E+00 -.881E-01   -.252E-06 -.457E-06 -.232E-06
   0.270E+00 -.173E+00 0.952E-02   0.661E+00 -.314E-01 0.825E-01   -.912E+00 0.204E+00 -.881E-01   0.252E-06 0.457E-06 -.232E-06
   -.517E-01 -.609E-01 0.148E-01   -.218E+00 0.668E-01 0.562E-01   0.251E+00 -.858E-02 -.547E-01   0.111E-06 0.509E-06 -.260E-07
   0.517E-01 0.609E-01 0.148E-01   0.218E+00 -.668E-01 0.562E-01   -.251E+00 0.858E-02 -.547E-01   -.111E-06 -.509E-06 -.260E-07
   -.517E-01 0.609E-01 0.148E-01   -.218E+00 -.668E-01 0.562E-01   0.251E+00 0.858E-02 -.547E-01   0.111E-06 -.509E-06 -.260E-07
   0.517E-01 -.609E-01 0.148E-01   0.218E+00 0.668E-01 0.562E-01   -.251E+00 -.858E-02 -.547E-01   -.111E-06 0.509E-06 -.260E-07
   -.517E-01 -.609E-01 0.148E-01   -.218E+00 0.668E-01 0.562E-01   0.251E+00 -.858E-02 -.547E-01   0.111E-06 0.509E-06 -.260E-07
   0.517E-01 0.609E-01 0.148E-01   0.218E+00 -.668E-01 0.562E-01   -.251E+00 0.858E-02 -.547E-01   -.111E-06 -.509E-06 -.260E-07
   -.517E-01 0.609E-01 0.148E-01   -.218E+00 -.668E-01 0.562E-01   0.251E+00 0.858E-02 -.547E-01   0.111E-06 -.509E-06 -.260E-07
   0.517E-01 -.609E-01 0.148E-01   0.218E+00 0.668E-01 0.562E-01   -.251E+00 -.858E-02 -.547E-01   -.111E-06 0.509E-06 -.260E-07
   0.308E-01 0.183E+00 0.101E+00   0.228E+00 -.167E+00 0.327E+00   -.240E+00 -.278E-01 -.426E+00   -.123E-06 -.418E-06 0.139E-06
   -.308E-01 -.183E+00 0.101E+00   -.228E+00 0.167E+00 0.327E+00   0.240E+00 0.278E-01 -.426E+00   0.123E-06 0.418E-06 0.139E-06
   0.308E-01 -.183E+00 0.101E+00   0.228E+00 0.167E+00 0.327E+00   -.240E+00 0.278E-01 -.426E+00   -.123E-06 0.418E-06 0.139E-06
   -.308E-01 0.183E+00 0.101E+00   -.228E+00 -.167E+00 0.327E+00   0.240E+00 -.278E-01 -.426E+00   0.123E-06 -.418E-06 0.139E-06
   0.308E-01 0.183E+00 0.101E+00   0.228E+00 -.167E+00 0.327E+00   -.240E+00 -.278E-01 -.426E+00   -.123E-06 -.418E-06 0.139E-06
   -.308E-01 -.183E+00 0.101E+00   -.228E+00 0.167E+00 0.327E+00   0.240E+00 0.278E-01 -.426E+00   0.123E-06 0.418E-06 0.139E-06
   0.308E-01 -.183E+00 0.101E+00   0.228E+00 0.167E+00 0.327E+00   -.240E+00 0.278E-01 -.426E+00   -.123E-06 0.418E-06 0.139E-06
   -.308E-01 0.183E+00 0.101E+00   -.228E+00 -.167E+00 0.327E+00   0.240E+00 -.278E-01 -.426E+00   0.123E-06 -.418E-06 0.139E-06
 -----------------------------------------------------------------------------------------------
   -.288E-04 0.240E-04 0.845E-01   0.236E-14 0.999E-15 -.139E-14   -.555E-16 -.347E-16 -.857E-01   -.283E-12 0.365E-12 -.265E-07
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.64172      0.94989      0.00284        -0.011795      0.008703     -0.041811
      6.23991      7.22263      0.00284         0.011795     -0.008703     -0.041811
      4.08254      3.13637      0.00284        -0.011795     -0.008703     -0.041811
      2.79910      5.03614      0.00284         0.011795      0.008703     -0.041811
      0.64172      5.03614      2.54089        -0.011795      0.008703     -0.041811
      6.23991      3.13637      2.54089         0.011795     -0.008703     -0.041811
      4.08254      7.22263      2.54089        -0.011795     -0.008703     -0.041811
      2.79910      0.94989      2.54089         0.011795      0.008703     -0.041811
      5.93967      7.38097      1.59042         0.001473     -0.008279      0.019357
      0.94196      0.79154      1.59042        -0.001473      0.008279      0.019357
      2.49885      4.87780      1.59042         0.001473      0.008279      0.019357
      4.38278      3.29472      1.59042        -0.001473     -0.008279      0.019357
      5.93967      3.29472      4.12848         0.001473     -0.008279      0.019357
      0.94196      4.87780      4.12848        -0.001473      0.008279      0.019357
      2.49885      0.79154      4.12848         0.001473      0.008279      0.019357
      4.38278      7.38097      4.12848        -0.001473     -0.008279      0.019357
      6.66147      0.95612      3.01558        -0.018852     -0.000651      0.003959
      0.22016      7.21639      3.01558         0.018852      0.000651      0.003959
      3.22065      3.13013      3.01558        -0.018852      0.000651      0.003959
      3.66098      5.04238      3.01558         0.018852     -0.000651      0.003959
      6.66147      5.04238      0.47753        -0.018852     -0.000651      0.003959
      0.22016      3.13013      0.47753         0.018852      0.000651      0.003959
      3.22065      7.21639      0.47753        -0.018852      0.000651      0.003959
      3.66098      0.95612      0.47753         0.018852     -0.000651      0.003959
      2.41735      2.19097      0.89334        -0.018503     -0.002603      0.016386
      4.46428      5.98155      0.89334         0.018503      0.002603      0.016386
      5.85817      1.89529      0.89334        -0.018503      0.002603      0.016386
      1.02346      6.27723      0.89334         0.018503     -0.002603      0.016386
      2.41735      6.27723      3.43140        -0.018503     -0.002603      0.016386
      4.46428      1.89529      3.43140         0.018503      0.002603      0.016386
      5.85817      5.98155      3.43140        -0.018503      0.002603      0.016386
      1.02346      2.19097      3.43140         0.018503     -0.002603      0.016386
      1.99631      7.45166      1.91289         0.019077     -0.011806      0.002108
      4.88533      0.72085      1.91289        -0.019077      0.011806      0.002108
      5.43712      4.80711      1.91289         0.019077      0.011806      0.002108
      1.44451      3.36540      1.91289        -0.019077     -0.011806      0.002108
      1.99631      3.36540      4.45095         0.019077     -0.011806      0.002108
      4.88533      4.80711      4.45095        -0.019077      0.011806      0.002108
      5.43712      0.72085      4.45095         0.019077      0.011806      0.002108
      1.44451      7.45166      4.45095        -0.019077     -0.011806      0.002108
 -----------------------------------------------------------------------------------
    total drift:                               -0.000029      0.000024     -0.001206


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -16.81305218 eV

  energy  without entropy=      -16.82318367  energy(sigma->0) =      -16.81642934
  enthalpy is  TOTEN    =       107.91536981 eV   P V=      124.72842199

 d Force = 0.9650250E-03[ 0.581E-03, 0.135E-02]  d Energy = 0.4005813E-01-0.391E-01
 d Force = 0.2186727E-01[ 0.218E-01, 0.219E-01]  d Ewald  = 0.2237699E+01-0.222E+01


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


    POTLOK:  cpu time    0.0284: real time    0.0292


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




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


    WAVPRE:  cpu time    0.0065: real time    0.0065
 FEWALD executed in parallel
    FEWALD:  cpu time    0.0016: real time    0.0026
    GENKIN:  cpu time    0.0247: real time    0.0247
    ORTHCH:  cpu time    0.5251: real time    0.5251
     LOOP+:  cpu time   51.1152: real time   51.1294


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


    POTLOK:  cpu time    0.0222: real time    0.0222
    SETDIJ:  cpu time    0.0059: real time    0.0059
     EDDAV:  cpu time    3.4713: real time    3.4716
       DOS:  cpu time    0.0069: real time    0.0069
    CHARGE:  cpu time    0.1886: real time    0.1886
    MIXING:  cpu time    0.0030: real time    0.0030
    --------------------------------------------
      LOOP:  cpu time    3.7000: real time    3.7015

 eigenvalue-minimisations  :  2888
 total energy-change (2. order) :-0.8814527E-02  (-0.7395915E-07)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9511135 magnetization 

  free energy =  -0.168218666018E+02  energy without entropy=  -0.168319979297E+02


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




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


    POTLOK:  cpu time    0.0207: real time    0.0217
    SETDIJ:  cpu time    0.0056: real time    0.0066
     EDDAV:  cpu time    3.4660: real time    3.4664
       DOS:  cpu time    0.0070: real time    0.0070
    CHARGE:  cpu time    0.2073: real time    0.2073
    MIXING:  cpu time    0.0034: real time    0.0034
    --------------------------------------------
      LOOP:  cpu time    3.7121: real time    3.7144

 eigenvalue-minimisations  :  2844
 total energy-change (2. order) : 0.3105799E-06  (-0.8180421E-08)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9511290 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6872
  1.6872

  free energy =  -0.168218662912E+02  energy without entropy=  -0.168319975912E+02


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




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


    POTLOK:  cpu time    0.0206: real time    0.0206
    SETDIJ:  cpu time    0.0065: real time    0.0065
     EDDAV:  cpu time    3.4076: real time    3.4079
       DOS:  cpu time    0.0070: real time    0.0070
    CHARGE:  cpu time    0.1900: real time    0.1900
    MIXING:  cpu time    0.0038: real time    0.0038
    --------------------------------------------
      LOOP:  cpu time    3.6364: real time    3.6368

 eigenvalue-minimisations  :  2820
 total energy-change (2. order) : 0.3751170E-06  (-0.1497261E-08)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9511298 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.9373
  1.0463  2.8283

  free energy =  -0.168218659161E+02  energy without entropy=  -0.168319971847E+02


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




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


    POTLOK:  cpu time    0.0200: real time    0.0200
    SETDIJ:  cpu time    0.0060: real time    0.0060
     EDDAV:  cpu time    3.3204: real time    3.3207
       DOS:  cpu time    0.0071: real time    0.0071
    CHARGE:  cpu time    0.2113: real time    0.2113
    MIXING:  cpu time    0.0036: real time    0.0036
    --------------------------------------------
      LOOP:  cpu time    3.5692: real time    3.5696

 eigenvalue-minimisations  :  2784
 total energy-change (2. order) : 0.1529354E-06  (-0.3719378E-09)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9511346 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8814
  0.8642  2.3900  2.3900

  free energy =  -0.168218657632E+02  energy without entropy=  -0.168319970222E+02


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




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


    POTLOK:  cpu time    0.0224: real time    0.0224
    SETDIJ:  cpu time    0.0068: real time    0.0068
     EDDAV:  cpu time    3.3352: real time    3.3355
       DOS:  cpu time    0.0073: real time    0.0073
    CHARGE:  cpu time    0.1668: real time    0.1668
    MIXING:  cpu time    0.0041: real time    0.0041
    --------------------------------------------
      LOOP:  cpu time    3.5437: real time    3.5440

 eigenvalue-minimisations  :  2776
 total energy-change (2. order) :-0.7376332E-07  (-0.5381221E-10)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9511348 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8001
  2.7510  2.7510  0.8492  0.8492

  free energy =  -0.168218658369E+02  energy without entropy=  -0.168319971075E+02


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




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


    POTLOK:  cpu time    0.0209: real time    0.0209
    SETDIJ:  cpu time    0.0054: real time    0.0054
     EDDAV:  cpu time    3.2604: real time    3.2608
       DOS:  cpu time    0.0073: real time    0.0073
    --------------------------------------------
      LOOP:  cpu time    3.2952: real time    3.2956

 eigenvalue-minimisations  :  2744
 total energy-change (2. order) : 0.2898105E-08  (-0.1043701E-10)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9511348 magnetization 

  free energy =  -0.168218658341E+02  energy without entropy=  -0.168319971048E+02


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




 average (electrostatic) potential at core
  the test charge radii are     0.9748
  (the norm of the test charge is              1.0000)
       1 -25.9698       2 -25.9698       3 -25.9698       4 -25.9698       5 -25.9698
       6 -25.9698       7 -25.9698       8 -25.9698       9 -25.9054      10 -25.9054
      11 -25.9054      12 -25.9054      13 -25.9054      14 -25.9054      15 -25.9054
      16 -25.9054      17 -25.9201      18 -25.9201      19 -25.9201      20 -25.9201
      21 -25.9201      22 -25.9201      23 -25.9201      24 -25.9201      25 -25.8446
      26 -25.8446      27 -25.8446      28 -25.8446      29 -25.8446      30 -25.8446
      31 -25.8446      32 -25.8446      33 -26.0174      34 -26.0174      35 -26.0174
      36 -26.0174      37 -26.0174      38 -26.0174      39 -26.0174      40 -26.0174
 
 
 
 E-fermi :   4.4652     XC(G=0):  -9.5570     alpha+bet :-20.5770


 k-point     1 :       0.0000    0.0833    0.0500
  band No.  band energies     occupation 
      1       0.9648      2.00000
      2       1.5075      2.00000
      3       1.7437      2.00000
      4       2.0006      2.00000
      5       2.0437      2.00000
      6       2.5141      2.00000
      7       2.6226      2.00000
      8       2.7722      2.00000
      9       2.8674      2.00000
     10       2.9228      2.00000
     11       3.2100      2.00000
     12       3.2828      2.00000
     13       3.3993      2.00000
     14       3.4323      2.00000
     15       3.5099      2.00000
     16       3.6207      2.00000
     17       3.8396      2.00009
     18       4.1820      2.06236
     19       4.2121      2.07043
     20       4.3898      1.59069
     21       5.5440     -0.00000
     22       5.7452     -0.00000
     23       5.9355     -0.00000
     24       6.0891     -0.00000
     25       6.2106     -0.00000
     26       6.3055     -0.00000
     27       6.5605     -0.00000
     28       7.1317     -0.00000
     29       7.1382     -0.00000
     30       7.2428     -0.00000
     31       7.3757     -0.00000
     32       7.4654     -0.00000
     33       8.0809     -0.00000
     34       8.1715     -0.00000
     35       8.8197     -0.00000
     36       8.9715     -0.00000
     37       9.2285     -0.00000
     38       9.4599     -0.00000
     39       9.8288     -0.00000
     40       9.8689     -0.00000
     41      10.1171      0.00000
     42      10.3111      0.00000
     43      10.5554      0.00000
     44      10.8292      0.00000

 k-point     2 :       0.1429    0.0833    0.0500
  band No.  band energies     occupation 
      1       0.9832      2.00000
      2       1.5276      2.00000
      3       1.7139      2.00000
      4       1.7645      2.00000
      5       2.2753      2.00000
      6       2.3945      2.00000
      7       2.5261      2.00000
      8       2.8706      2.00000
      9       2.9632      2.00000
     10       3.1468      2.00000
     11       3.2378      2.00000
     12       3.2959      2.00000
     13       3.3762      2.00000
     14       3.4345      2.00000
     15       3.5398      2.00000
     16       3.6247      2.00000
     17       3.7768      2.00001
     18       4.0591      2.01448
     19       4.2295      2.07021
     20       4.4353      1.25008
     21       5.4310     -0.00000
     22       5.5975     -0.00000
     23       5.8929     -0.00000
     24       5.9959     -0.00000
     25       6.1571     -0.00000
     26       6.5300     -0.00000
     27       6.6347     -0.00000
     28       6.8455     -0.00000
     29       7.1144     -0.00000
     30       7.2324     -0.00000
     31       7.3103     -0.00000
     32       7.3980     -0.00000
     33       8.3575     -0.00000
     34       8.4090     -0.00000
     35       8.8371     -0.00000
     36       8.8976     -0.00000
     37       9.2523     -0.00000
     38       9.4329     -0.00000
     39       9.7786     -0.00000
     40       9.9511      0.00000
     41      10.0788      0.00000
     42      10.1876      0.00000
     43      10.8554      0.00000
     44      10.9356      0.00000

 k-point     3 :       0.2857    0.0833    0.0500
  band No.  band energies     occupation 
      1       1.0392      2.00000
      2       1.4675      2.00000
      3       1.5886      2.00000
      4       1.8271      2.00000
      5       2.0345      2.00000
      6       2.2823      2.00000
      7       2.8278      2.00000
      8       2.9691      2.00000
      9       3.2378      2.00000
     10       3.2713      2.00000
     11       3.3179      2.00000
     12       3.3365      2.00000
     13       3.4306      2.00000
     14       3.5248      2.00000
     15       3.5733      2.00000
     16       3.6241      2.00000
     17       3.7252      2.00000
     18       3.8443      2.00010
     19       4.1571      2.05166
     20       4.3412      1.85744
     21       5.3354     -0.00000
     22       5.4353     -0.00000
     23       5.7783     -0.00000
     24       5.8532     -0.00000
     25       5.8928     -0.00000
     26       6.2532     -0.00000
     27       6.7821     -0.00000
     28       7.0327     -0.00000
     29       7.1128     -0.00000
     30       7.2140     -0.00000
     31       7.2682     -0.00000
     32       7.5624     -0.00000
     33       8.5045     -0.00000
     34       8.5215     -0.00000
     35       8.7740     -0.00000
     36       8.9072     -0.00000
     37       9.2153     -0.00000
     38       9.3366     -0.00000
     39       9.8138     -0.00000
     40       9.8880     -0.00000
     41      10.1846      0.00000
     42      10.3799      0.00000
     43      11.0113      0.00000
     44      11.1331      0.00000

 k-point     4 :       0.4286    0.0833    0.0500
  band No.  band energies     occupation 
      1       1.1356      2.00000
      2       1.2766      2.00000
      3       1.6918      2.00000
      4       1.8388      2.00000
      5       1.9345      2.00000
      6       2.0848      2.00000
      7       3.0555      2.00000
      8       3.1606      2.00000
      9       3.3044      2.00000
     10       3.3952      2.00000
     11       3.4298      2.00000
     12       3.4439      2.00000
     13       3.5061      2.00000
     14       3.5120      2.00000
     15       3.6354      2.00000
     16       3.6522      2.00000
     17       3.7153      2.00000
     18       3.7706      2.00001
     19       3.9153      2.00071
     20       4.1104      2.03093
     21       5.3578     -0.00000
     22       5.4801     -0.00000
     23       5.6477     -0.00000
     24       5.6574     -0.00000
     25       5.7699     -0.00000
     26       5.7899     -0.00000
     27       6.9774     -0.00000
     28       7.1191     -0.00000
     29       7.1569     -0.00000
     30       7.1606     -0.00000
     31       7.6288     -0.00000
     32       7.8814     -0.00000
     33       8.1504     -0.00000
     34       8.2395     -0.00000
     35       8.8984     -0.00000
     36       8.9583     -0.00000
     37       9.1148     -0.00000
     38       9.2005     -0.00000
     39       9.8041     -0.00000
     40       9.8777     -0.00000
     41      10.4831      0.00000
     42      10.5778      0.00000
     43      11.2340      0.00000
     44      11.3325      0.00000

 k-point     5 :       0.0000    0.2500    0.0500
  band No.  band energies     occupation 
      1       0.9982      2.00000
      2       1.3178      2.00000
      3       2.0229      2.00000
      4       2.0322      2.00000
      5       2.0804      2.00000
      6       2.3382      2.00000
      7       2.4326      2.00000
      8       2.9425      2.00000
      9       3.0081      2.00000
     10       3.0531      2.00000
     11       3.1368      2.00000
     12       3.2108      2.00000
     13       3.4031      2.00000
     14       3.4972      2.00000
     15       3.5036      2.00000
     16       3.6916      2.00000
     17       3.7539      2.00001
     18       4.0094      2.00586
     19       4.0354      2.00960
     20       4.2321      2.06974
     21       5.6892     -0.00000
     22       5.8220     -0.00000
     23       5.9799     -0.00000
     24       6.2287     -0.00000
     25       6.3110     -0.00000
     26       6.4416     -0.00000
     27       6.5150     -0.00000
     28       6.7798     -0.00000
     29       7.2792     -0.00000
     30       7.3349     -0.00000
     31       7.4327     -0.00000
     32       7.6253     -0.00000
     33       8.0382     -0.00000
     34       8.1917     -0.00000
     35       8.8964     -0.00000
     36       9.0473     -0.00000
     37       9.0902     -0.00000
     38       9.2201     -0.00000
     39       9.5557     -0.00000
     40       9.8849     -0.00000
     41       9.9237     -0.00000
     42      10.4088      0.00000
     43      10.4874      0.00000
     44      10.9329      0.00000

 k-point     6 :       0.1429    0.2500    0.0500
  band No.  band energies     occupation 
      1       1.0167      2.00000
      2       1.3373      2.00000
      3       1.7488      2.00000
      4       2.0378      2.00000
      5       2.0905      2.00000
      6       2.4258      2.00000
      7       2.7304      2.00000
      8       2.8134      2.00000
      9       2.9747      2.00000
     10       3.0361      2.00000
     11       3.2273      2.00000
     12       3.3522      2.00000
     13       3.3989      2.00000
     14       3.5027      2.00000
     15       3.5255      2.00000
     16       3.6957      2.00000
     17       3.7064      2.00000
     18       3.8281      2.00006
     19       4.1103      2.03087
     20       4.2768      2.03603
     21       5.5673     -0.00000
     22       5.7506     -0.00000
     23       5.9437     -0.00000
     24       6.0747     -0.00000
     25       6.2347     -0.00000
     26       6.5031     -0.00000
     27       6.6448     -0.00000
     28       6.7192     -0.00000
     29       7.1743     -0.00000
     30       7.3201     -0.00000
     31       7.3436     -0.00000
     32       7.6021     -0.00000
     33       8.2871     -0.00000
     34       8.3709     -0.00000
     35       8.9012     -0.00000
     36       9.0074     -0.00000
     37       9.0329     -0.00000
     38       9.2326     -0.00000
     39       9.6316     -0.00000
     40       9.8276     -0.00000
     41       9.9532      0.00000
     42      10.4714      0.00000
     43      10.5095      0.00000
     44      11.0520      0.00000

 k-point     7 :       0.2857    0.2500    0.0500
  band No.  band energies     occupation 
      1       1.0730      2.00000
      2       1.3965      2.00000
      3       1.5026      2.00000
      4       1.8361      2.00000
      5       2.1136      2.00000
      6       2.5744      2.00000
      7       2.8486      2.00000
      8       2.9964      2.00000
      9       3.1215      2.00000
     10       3.1372      2.00000
     11       3.2746      2.00000
     12       3.3104      2.00000
     13       3.4736      2.00000
     14       3.5334      2.00000
     15       3.6104      2.00000
     16       3.6155      2.00000
     17       3.6738      2.00000
     18       3.7295      2.00000
     19       4.0492      2.01224
     20       4.2336      2.06940
     21       5.4083     -0.00000
     22       5.6711     -0.00000
     23       5.7786     -0.00000
     24       5.8321     -0.00000
     25       6.1138     -0.00000
     26       6.2074     -0.00000
     27       6.6281     -0.00000
     28       7.0716     -0.00000
     29       7.1210     -0.00000
     30       7.3627     -0.00000
     31       7.5066     -0.00000
     32       7.5454     -0.00000
     33       8.3765     -0.00000
     34       8.5310     -0.00000
     35       8.8040     -0.00000
     36       8.8908     -0.00000
     37       9.0489     -0.00000
     38       9.1744     -0.00000
     39       9.6402     -0.00000
     40       9.8023     -0.00000
     41      10.1707      0.00000
     42      10.5974      0.00000
     43      10.7164      0.00000
     44      11.2291      0.00000

 k-point     8 :       0.4286    0.2500    0.0500
  band No.  band energies     occupation 
      1       1.1699      2.00000
      2       1.3114      2.00000
      3       1.4974      2.00000
      4       1.6429      2.00000
      5       2.2229      2.00000
      6       2.3768      2.00000
      7       3.0922      2.00000
      8       3.2016      2.00000
      9       3.2120      2.00000
     10       3.3171      2.00000
     11       3.3802      2.00000
     12       3.4075      2.00000
     13       3.4334      2.00000
     14       3.4481      2.00000
     15       3.5492      2.00000
     16       3.6273      2.00000
     17       3.7459      2.00000
     18       3.7721      2.00001
     19       3.8487      2.00012
     20       4.0065      2.00554
     21       5.4232     -0.00000
     22       5.6165     -0.00000
     23       5.6193     -0.00000
     24       5.7952     -0.00000
     25       5.7967     -0.00000
     26       5.9763     -0.00000
     27       6.7938     -0.00000
     28       6.9595     -0.00000
     29       7.3370     -0.00000
     30       7.4399     -0.00000
     31       7.7322     -0.00000
     32       7.8216     -0.00000
     33       8.1708     -0.00000
     34       8.2002     -0.00000
     35       8.8451     -0.00000
     36       8.9002     -0.00000
     37       8.9811     -0.00000
     38       9.0616     -0.00000
     39       9.6129     -0.00000
     40       9.7788     -0.00000
     41      10.4590      0.00000
     42      10.6332      0.00000
     43      11.1568      0.00000
     44      11.3547      0.00000

 k-point     9 :       0.0000    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.0664      2.00000
      2       1.1719      2.00000
      3       2.0971      2.00000
      4       2.1535      2.00000
      5       2.1981      2.00000
      6       2.2484      2.00000
      7       2.3744      2.00000
      8       2.6961      2.00000
      9       3.0186      2.00000
     10       3.1122      2.00000
     11       3.3436      2.00000
     12       3.4331      2.00000
     13       3.4347      2.00000
     14       3.4738      2.00000
     15       3.6014      2.00000
     16       3.6018      2.00000
     17       3.7385      2.00000
     18       3.7809      2.00001
     19       3.8288      2.00007
     20       4.0198      2.00718
     21       5.9384     -0.00000
     22       5.9549     -0.00000
     23       6.1013     -0.00000
     24       6.1493     -0.00000
     25       6.2192     -0.00000
     26       6.4236     -0.00000
     27       6.6283     -0.00000
     28       6.9406     -0.00000
     29       6.9808     -0.00000
     30       7.2855     -0.00000
     31       7.6170     -0.00000
     32       7.8770     -0.00000
     33       8.1961     -0.00000
     34       8.3669     -0.00000
     35       8.5254     -0.00000
     36       9.0206     -0.00000
     37       9.0797     -0.00000
     38       9.1521     -0.00000
     39       9.3200     -0.00000
     40       9.6059     -0.00000
     41       9.9570      0.00000
     42      10.0676      0.00000
     43      10.7824      0.00000
     44      10.9635      0.00000

 k-point    10 :       0.1429    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.0851      2.00000
      2       1.1909      2.00000
      3       1.8198      2.00000
      4       1.9290      2.00000
      5       2.3647      2.00000
      6       2.4852      2.00000
      7       2.6052      2.00000
      8       2.7269      2.00000
      9       3.0380      2.00000
     10       3.1309      2.00000
     11       3.1420      2.00000
     12       3.4375      2.00000
     13       3.4839      2.00000
     14       3.4895      2.00000
     15       3.5030      2.00000
     16       3.6163      2.00000
     17       3.6859      2.00000
     18       3.8384      2.00009
     19       3.9118      2.00065
     20       4.0486      2.01212
     21       5.7656     -0.00000
     22       5.9380     -0.00000
     23       5.9690     -0.00000
     24       6.1251     -0.00000
     25       6.2540     -0.00000
     26       6.3707     -0.00000
     27       6.5631     -0.00000
     28       6.9102     -0.00000
     29       7.0088     -0.00000
     30       7.2290     -0.00000
     31       7.6390     -0.00000
     32       8.0060     -0.00000
     33       8.1832     -0.00000
     34       8.4966     -0.00000
     35       8.5786     -0.00000
     36       8.9946     -0.00000
     37       9.0311     -0.00000
     38       9.2526     -0.00000
     39       9.2779     -0.00000
     40       9.5655     -0.00000
     41      10.0209      0.00000
     42      10.1376      0.00000
     43      10.8010      0.00000
     44      11.0116      0.00000

 k-point    11 :       0.2857    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.1421      2.00000
      2       1.2488      2.00000
      3       1.5740      2.00000
      4       1.6842      2.00000
      5       2.4371      2.00000
      6       2.7676      2.00000
      7       2.9087      2.00000
      8       2.9351      2.00000
      9       2.9870      2.00000
     10       3.1119      2.00000
     11       3.1853      2.00000
     12       3.2700      2.00000
     13       3.3803      2.00000
     14       3.4634      2.00000
     15       3.5285      2.00000
     16       3.5989      2.00000
     17       3.7370      2.00000
     18       3.8899      2.00037
     19       3.8998      2.00048
     20       4.0769      2.01924
     21       5.5394     -0.00000
     22       5.6668     -0.00000
     23       5.8920     -0.00000
     24       6.0621     -0.00000
     25       6.0787     -0.00000
     26       6.3645     -0.00000
     27       6.4292     -0.00000
     28       6.7724     -0.00000
     29       7.2719     -0.00000
     30       7.4050     -0.00000
     31       7.7321     -0.00000
     32       8.0612     -0.00000
     33       8.1144     -0.00000
     34       8.4982     -0.00000
     35       8.6050     -0.00000
     36       8.8790     -0.00000
     37       8.9683     -0.00000
     38       9.2854     -0.00000
     39       9.2888     -0.00000
     40       9.5645     -0.00000
     41      10.2514      0.00000
     42      10.4280      0.00000
     43      10.8031      0.00000
     44      11.0518      0.00000

 k-point    12 :       0.4286    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.2398      2.00000
      2       1.3479      2.00000
      3       1.3822      2.00000
      4       1.4916      2.00000
      5       2.5524      2.00000
      6       2.7107      2.00000
      7       2.9018      2.00000
      8       3.0673      2.00000
      9       3.1594      2.00000
     10       3.2447      2.00000
     11       3.2755      2.00000
     12       3.3650      2.00000
     13       3.3888      2.00000
     14       3.4176      2.00000
     15       3.6033      2.00000
     16       3.6763      2.00000
     17       3.6768      2.00000
     18       3.7692      2.00001
     19       3.8270      2.00006
     20       3.8958      2.00043
     21       5.5147     -0.00000
     22       5.5772     -0.00000
     23       5.6943     -0.00000
     24       5.7685     -0.00000
     25       6.1366     -0.00000
     26       6.2834     -0.00000
     27       6.4893     -0.00000
     28       6.6378     -0.00000
     29       7.5778     -0.00000
     30       7.7206     -0.00000
     31       7.8128     -0.00000
     32       8.0177     -0.00000
     33       8.0468     -0.00000
     34       8.3343     -0.00000
     35       8.4401     -0.00000
     36       8.6384     -0.00000
     37       9.0350     -0.00000
     38       9.2611     -0.00000
     39       9.3196     -0.00000
     40       9.5400     -0.00000
     41      10.5484      0.00000
     42      10.7326      0.00000
     43      10.7913      0.00000
     44      10.9877      0.00000

 k-point    13 :       0.0000    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.0039      2.00000
      2       1.5547      2.00000
      3       1.7939      2.00000
      4       2.0413      2.00000
      5       2.0864      2.00000
      6       2.4885      2.00000
      7       2.5797      2.00000
      8       2.6660      2.00000
      9       2.8107      2.00000
     10       2.9044      2.00000
     11       3.0817      2.00000
     12       3.2805      2.00000
     13       3.3132      2.00000
     14       3.3355      2.00000
     15       3.4462      2.00000
     16       3.7595      2.00001
     17       3.8607      2.00016
     18       4.0038      2.00525
     19       4.0465      2.01168
     20       4.1718      2.05819
     21       5.7699     -0.00000
     22       5.9727     -0.00000
     23       6.1840     -0.00000
     24       6.4610     -0.00000
     25       6.4909     -0.00000
     26       6.5858     -0.00000
     27       6.6008     -0.00000
     28       6.7658     -0.00000
     29       7.1719     -0.00000
     30       7.2552     -0.00000
     31       7.3728     -0.00000
     32       7.4366     -0.00000
     33       8.1770     -0.00000
     34       8.4767     -0.00000
     35       8.9397     -0.00000
     36       9.0661     -0.00000
     37       9.0726     -0.00000
     38       9.5692     -0.00000
     39       9.8278     -0.00000
     40       9.8523     -0.00000
     41      10.0229      0.00000
     42      10.0333      0.00000
     43      10.4053      0.00000
     44      10.4601      0.00000

 k-point    14 :       0.1429    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.0224      2.00000
      2       1.5747      2.00000
      3       1.7554      2.00000
      4       1.8145      2.00000
      5       2.3183      2.00000
      6       2.4353      2.00000
      7       2.5214      2.00000
      8       2.5706      2.00000
      9       2.9509      2.00000
     10       3.0979      2.00000
     11       3.1478      2.00000
     12       3.1917      2.00000
     13       3.3002      2.00000
     14       3.3690      2.00000
     15       3.5879      2.00000
     16       3.6570      2.00000
     17       3.8733      2.00023
     18       3.9610      2.00211
     19       4.0839      2.02137
     20       4.1559      2.05108
     21       5.7143     -0.00000
     22       5.8181     -0.00000
     23       6.1166     -0.00000
     24       6.3527     -0.00000
     25       6.3930     -0.00000
     26       6.4874     -0.00000
     27       6.7075     -0.00000
     28       6.7849     -0.00000
     29       7.1653     -0.00000
     30       7.2598     -0.00000
     31       7.2645     -0.00000
     32       7.4533     -0.00000
     33       8.3376     -0.00000
     34       8.5579     -0.00000
     35       8.9302     -0.00000
     36       9.0273     -0.00000
     37       9.0825     -0.00000
     38       9.5945     -0.00000
     39       9.8428     -0.00000
     40       9.9077     -0.00000
     41       9.9169     -0.00000
     42      10.1221      0.00000
     43      10.6454      0.00000
     44      10.7164      0.00000

 k-point    15 :       0.2857    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.0787      2.00000
      2       1.5086      2.00000
      3       1.6355      2.00000
      4       1.8765      2.00000
      5       2.0792      2.00000
      6       2.3256      2.00000
      7       2.5830      2.00000
      8       2.8642      2.00000
      9       2.9738      2.00000
     10       3.1457      2.00000
     11       3.2876      2.00000
     12       3.3523      2.00000
     13       3.4473      2.00000
     14       3.4765      2.00000
     15       3.5336      2.00000
     16       3.7448      2.00000
     17       3.8080      2.00003
     18       3.9041      2.00053
     19       4.0064      2.00553
     20       4.1181      2.03405
     21       5.4691     -0.00000
     22       5.7720     -0.00000
     23       5.9933     -0.00000
     24       5.9942     -0.00000
     25       6.1386     -0.00000
     26       6.3017     -0.00000
     27       6.7241     -0.00000
     28       7.0434     -0.00000
     29       7.0547     -0.00000
     30       7.1673     -0.00000
     31       7.3068     -0.00000
     32       7.7001     -0.00000
     33       8.3725     -0.00000
     34       8.4503     -0.00000
     35       8.9646     -0.00000
     36       9.0615     -0.00000
     37       9.0957     -0.00000
     38       9.4981     -0.00000
     39       9.9024     -0.00000
     40      10.0979      0.00000
     41      10.1427      0.00000
     42      10.3366      0.00000
     43      10.9699      0.00000
     44      11.1223      0.00000

 k-point    16 :       0.4286    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.1756      2.00000
      2       1.3172      2.00000
      3       1.7383      2.00000
      4       1.8850      2.00000
      5       1.9823      2.00000
      6       2.1309      2.00000
      7       2.6786      2.00000
      8       2.8106      2.00000
      9       3.2129      2.00000
     10       3.3087      2.00000
     11       3.3506      2.00000
     12       3.5015      2.00000
     13       3.5574      2.00000
     14       3.6254      2.00000
     15       3.6385      2.00000
     16       3.6447      2.00000
     17       3.8001      2.00003
     18       3.8650      2.00019
     19       3.8747      2.00024
     20       3.9227      2.00085
     21       5.4403     -0.00000
     22       5.6569     -0.00000
     23       5.7403     -0.00000
     24       5.8047     -0.00000
     25       5.9935     -0.00000
     26       6.1916     -0.00000
     27       6.7549     -0.00000
     28       6.8858     -0.00000
     29       7.1471     -0.00000
     30       7.1940     -0.00000
     31       7.6203     -0.00000
     32       7.9628     -0.00000
     33       8.0451     -0.00000
     34       8.2058     -0.00000
     35       9.0941     -0.00000
     36       9.1562     -0.00000
     37       9.1952     -0.00000
     38       9.3645     -0.00000
     39       9.9066     -0.00000
     40      10.0875      0.00000
     41      10.3966      0.00000
     42      10.4948      0.00000
     43      11.2143      0.00000
     44      11.3220      0.00000

 k-point    17 :       0.0000    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.0379      2.00000
      2       1.3625      2.00000
      3       2.0733      2.00000
      4       2.0766      2.00000
      5       2.1235      2.00000
      6       2.3777      2.00000
      7       2.4765      2.00000
      8       2.5546      2.00000
      9       2.9105      2.00000
     10       3.0650      2.00000
     11       3.0744      2.00000
     12       3.1633      2.00000
     13       3.3608      2.00000
     14       3.5043      2.00000
     15       3.5116      2.00000
     16       3.6701      2.00000
     17       3.8485      2.00012
     18       3.8771      2.00026
     19       3.9358      2.00117
     20       4.0432      2.01104
     21       5.8532     -0.00000
     22       6.0159     -0.00000
     23       6.0748     -0.00000
     24       6.3306     -0.00000
     25       6.5059     -0.00000
     26       6.6159     -0.00000
     27       6.6730     -0.00000
     28       6.7925     -0.00000
     29       7.3976     -0.00000
     30       7.4064     -0.00000
     31       7.4786     -0.00000
     32       7.6254     -0.00000
     33       8.2032     -0.00000
     34       8.3175     -0.00000
     35       8.7548     -0.00000
     36       8.9377     -0.00000
     37       9.2199     -0.00000
     38       9.4224     -0.00000
     39       9.6363     -0.00000
     40       9.7309     -0.00000
     41       9.8397     -0.00000
     42      10.3519      0.00000
     43      10.3780      0.00000
     44      10.9267      0.00000

 k-point    18 :       0.1429    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.0565      2.00000
      2       1.3820      2.00000
      3       1.7907      2.00000
      4       2.0903      2.00000
      5       2.1349      2.00000
      6       2.4672      2.00000
      7       2.5652      2.00000
      8       2.7838      2.00000
      9       2.8476      2.00000
     10       2.9295      2.00000
     11       3.1016      2.00000
     12       3.2075      2.00000
     13       3.3998      2.00000
     14       3.4970      2.00000
     15       3.5909      2.00000
     16       3.6462      2.00000
     17       3.7943      2.00002
     18       3.8645      2.00018
     19       3.9726      2.00273
     20       4.0993      2.02666
     21       5.7502     -0.00000
     22       5.9638     -0.00000
     23       5.9840     -0.00000
     24       6.2271     -0.00000
     25       6.3218     -0.00000
     26       6.6084     -0.00000
     27       6.6490     -0.00000
     28       6.9061     -0.00000
     29       7.2642     -0.00000
     30       7.3894     -0.00000
     31       7.5079     -0.00000
     32       7.6160     -0.00000
     33       8.3737     -0.00000
     34       8.3816     -0.00000
     35       8.8478     -0.00000
     36       8.9168     -0.00000
     37       9.1968     -0.00000
     38       9.4047     -0.00000
     39       9.6254     -0.00000
     40       9.7429     -0.00000
     41       9.9186     -0.00000
     42      10.4252      0.00000
     43      10.5451      0.00000
     44      10.9549      0.00000

 k-point    19 :       0.2857    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.1131      2.00000
      2       1.4412      2.00000
      3       1.5441      2.00000
      4       1.8807      2.00000
      5       2.1651      2.00000
      6       2.6083      2.00000
      7       2.6318      2.00000
      8       2.8861      2.00000
      9       2.9865      2.00000
     10       3.0223      2.00000
     11       3.1603      2.00000
     12       3.1825      2.00000
     13       3.3668      2.00000
     14       3.6041      2.00000
     15       3.6188      2.00000
     16       3.6416      2.00000
     17       3.7932      2.00002
     18       3.9062      2.00056
     19       3.9460      2.00149
     20       4.1110      2.03116
     21       5.4929     -0.00000
     22       5.8352     -0.00000
     23       5.9218     -0.00000
     24       5.9736     -0.00000
     25       6.0352     -0.00000
     26       6.5290     -0.00000
     27       6.5501     -0.00000
     28       7.0292     -0.00000
     29       7.1710     -0.00000
     30       7.4148     -0.00000
     31       7.6192     -0.00000
     32       7.6902     -0.00000
     33       8.3442     -0.00000
     34       8.4621     -0.00000
     35       8.8702     -0.00000
     36       8.9182     -0.00000
     37       9.2684     -0.00000
     38       9.3010     -0.00000
     39       9.6499     -0.00000
     40       9.9970      0.00000
     41      10.1135      0.00000
     42      10.5532      0.00000
     43      10.7723      0.00000
     44      11.1244      0.00000

 k-point    20 :       0.4286    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.2104      2.00000
      2       1.3524      2.00000
      3       1.5421      2.00000
      4       1.6876      2.00000
      5       2.2719      2.00000
      6       2.4219      2.00000
      7       2.7225      2.00000
      8       2.8584      2.00000
      9       3.0727      2.00000
     10       3.1926      2.00000
     11       3.2824      2.00000
     12       3.3943      2.00000
     13       3.4498      2.00000
     14       3.5060      2.00000
     15       3.6845      2.00000
     16       3.7039      2.00000
     17       3.7943      2.00002
     18       3.8820      2.00030
     19       3.9270      2.00095
     20       3.9322      2.00107
     21       5.4142     -0.00000
     22       5.6851     -0.00000
     23       5.6960     -0.00000
     24       5.7749     -0.00000
     25       6.0582     -0.00000
     26       6.3815     -0.00000
     27       6.6111     -0.00000
     28       6.7914     -0.00000
     29       7.3074     -0.00000
     30       7.4601     -0.00000
     31       7.8127     -0.00000
     32       7.9138     -0.00000
     33       8.1773     -0.00000
     34       8.1864     -0.00000
     35       8.9700     -0.00000
     36       9.0362     -0.00000
     37       9.1837     -0.00000
     38       9.3335     -0.00000
     39       9.6173     -0.00000
     40      10.0610      0.00000
     41      10.3615      0.00000
     42      10.5477      0.00000
     43      11.1217      0.00000
     44      11.2305      0.00000

 k-point    21 :       0.0000    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.1073      2.00000
      2       1.2144      2.00000
      3       2.1389      2.00000
      4       2.1975      2.00000
      5       2.2402      2.00000
      6       2.2964      2.00000
      7       2.4277      2.00000
      8       2.6344      2.00000
      9       2.7554      2.00000
     10       2.7571      2.00000
     11       3.3261      2.00000
     12       3.4344      2.00000
     13       3.4694      2.00000
     14       3.5014      2.00000
     15       3.6404      2.00000
     16       3.6427      2.00000
     17       3.6797      2.00000
     18       3.7668      2.00001
     19       3.8087      2.00004
     20       3.8368      2.00008
     21       5.9431     -0.00000
     22       6.0760     -0.00000
     23       6.0976     -0.00000
     24       6.2227     -0.00000
     25       6.3626     -0.00000
     26       6.3748     -0.00000
     27       6.9735     -0.00000
     28       7.1344     -0.00000
     29       7.2542     -0.00000
     30       7.4023     -0.00000
     31       7.7380     -0.00000
     32       8.0558     -0.00000
     33       8.1127     -0.00000
     34       8.3845     -0.00000
     35       8.4361     -0.00000
     36       9.0206     -0.00000
     37       9.1234     -0.00000
     38       9.1994     -0.00000
     39       9.4098     -0.00000
     40       9.5681     -0.00000
     41       9.9373      0.00000
     42      10.0769      0.00000
     43      10.7601      0.00000
     44      10.9547      0.00000

 k-point    22 :       0.1429    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.1260      2.00000
      2       1.2335      2.00000
      3       1.8625      2.00000
      4       1.9726      2.00000
      5       2.4208      2.00000
      6       2.5279      2.00000
      7       2.6266      2.00000
      8       2.6765      2.00000
      9       2.7682      2.00000
     10       2.7941      2.00000
     11       3.1514      2.00000
     12       3.3078      2.00000
     13       3.3896      2.00000
     14       3.5134      2.00000
     15       3.6144      2.00000
     16       3.6982      2.00000
     17       3.7495      2.00001
     18       3.8198      2.00005
     19       3.8484      2.00012
     20       3.9623      2.00217
     21       5.8848     -0.00000
     22       5.9695     -0.00000
     23       6.0199     -0.00000
     24       6.1555     -0.00000
     25       6.1589     -0.00000
     26       6.3673     -0.00000
     27       6.9349     -0.00000
     28       7.1729     -0.00000
     29       7.1981     -0.00000
     30       7.4252     -0.00000
     31       7.7134     -0.00000
     32       8.0584     -0.00000
     33       8.1461     -0.00000
     34       8.5313     -0.00000
     35       8.5803     -0.00000
     36       8.9932     -0.00000
     37       9.0957     -0.00000
     38       9.2007     -0.00000
     39       9.4113     -0.00000
     40       9.5982     -0.00000
     41      10.0162      0.00000
     42      10.1891      0.00000
     43      10.7674      0.00000
     44      10.9794      0.00000

 k-point    23 :       0.2857    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.1832      2.00000
      2       1.2916      2.00000
      3       1.6164      2.00000
      4       1.7277      2.00000
      5       2.4906      2.00000
      6       2.7094      2.00000
      7       2.8158      2.00000
      8       2.8356      2.00000
      9       2.9380      2.00000
     10       2.9857      2.00000
     11       3.0515      2.00000
     12       3.1191      2.00000
     13       3.2140      2.00000
     14       3.3173      2.00000
     15       3.7457      2.00000
     16       3.7459      2.00000
     17       3.8319      2.00007
     18       3.8769      2.00026
     19       3.9447      2.00145
     20       4.0394      2.01032
     21       5.6289     -0.00000
     22       5.8014     -0.00000
     23       5.8016     -0.00000
     24       5.8786     -0.00000
     25       6.1477     -0.00000
     26       6.3369     -0.00000
     27       6.7631     -0.00000
     28       6.9404     -0.00000
     29       7.3924     -0.00000
     30       7.5885     -0.00000
     31       7.7755     -0.00000
     32       8.0970     -0.00000
     33       8.1145     -0.00000
     34       8.5379     -0.00000
     35       8.6929     -0.00000
     36       8.9647     -0.00000
     37       9.0341     -0.00000
     38       9.2238     -0.00000
     39       9.5132     -0.00000
     40       9.7761     -0.00000
     41      10.2078      0.00000
     42      10.4372      0.00000
     43      10.7536      0.00000
     44      11.0213      0.00000

 k-point    24 :       0.4286    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.2814      2.00000
      2       1.3909      2.00000
      3       1.4242      2.00000
      4       1.5349      2.00000
      5       2.6005      2.00000
      6       2.7481      2.00000
      7       2.8111      2.00000
      8       2.9146      2.00000
      9       2.9538      2.00000
     10       2.9579      2.00000
     11       3.0565      2.00000
     12       3.1374      2.00000
     13       3.4085      2.00000
     14       3.4522      2.00000
     15       3.7300      2.00000
     16       3.7558      2.00001
     17       3.8334      2.00007
     18       3.8790      2.00027
     19       3.9440      2.00143
     20       3.9567      2.00191
     21       5.4930     -0.00000
     22       5.6185     -0.00000
     23       5.6590     -0.00000
     24       5.6965     -0.00000
     25       6.2567     -0.00000
     26       6.4368     -0.00000
     27       6.5344     -0.00000
     28       6.6618     -0.00000
     29       7.5538     -0.00000
     30       7.7757     -0.00000
     31       7.7992     -0.00000
     32       8.0560     -0.00000
     33       8.1969     -0.00000
     34       8.4743     -0.00000
     35       8.6288     -0.00000
     36       8.8587     -0.00000
     37       9.0733     -0.00000
     38       9.2754     -0.00000
     39       9.5462     -0.00000
     40       9.8304     -0.00000
     41      10.4656      0.00000
     42      10.6609      0.00000
     43      10.7480      0.00000
     44      10.9565      0.00000

 k-point    25 :       0.0000    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.0829      2.00000
      2       1.6491      2.00000
      3       1.8940      2.00000
      4       2.1229      2.00000
      5       2.1450      2.00000
      6       2.1706      2.00000
      7       2.6444      2.00000
      8       2.7511      2.00000
      9       2.7926      2.00000
     10       2.8602      2.00000
     11       2.9740      2.00000
     12       3.0617      2.00000
     13       3.1498      2.00000
     14       3.1896      2.00000
     15       3.4130      2.00000
     16       3.6171      2.00000
     17       3.7451      2.00000
     18       3.8209      2.00005
     19       3.8907      2.00037
     20       4.2437      2.06598
     21       6.1053     -0.00000
     22       6.1943     -0.00000
     23       6.2775     -0.00000
     24       6.6175     -0.00000
     25       6.8970     -0.00000
     26       7.0136     -0.00000
     27       7.0267     -0.00000
     28       7.0827     -0.00000
     29       7.2757     -0.00000
     30       7.3039     -0.00000
     31       7.3871     -0.00000
     32       7.3905     -0.00000
     33       8.1726     -0.00000
     34       8.5995     -0.00000
     35       8.6202     -0.00000
     36       9.1383     -0.00000
     37       9.2605     -0.00000
     38       9.5880     -0.00000
     39       9.6717     -0.00000
     40       9.7462     -0.00000
     41       9.8606     -0.00000
     42      10.0620      0.00000
     43      10.2189      0.00000
     44      10.3446      0.00000

 k-point    26 :       0.1429    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.1016      2.00000
      2       1.6690      2.00000
      3       1.8386      2.00000
      4       1.9140      2.00000
      5       2.1652      2.00000
      6       2.4071      2.00000
      7       2.5142      2.00000
      8       2.6395      2.00000
      9       2.8127      2.00000
     10       2.8939      2.00000
     11       3.0294      2.00000
     12       3.0823      2.00000
     13       3.2235      2.00000
     14       3.4132      2.00000
     15       3.4632      2.00000
     16       3.4785      2.00000
     17       3.7217      2.00000
     18       3.9025      2.00051
     19       3.9207      2.00081
     20       4.2468      2.06447
     21       5.9798     -0.00000
     22       6.1347     -0.00000
     23       6.1354     -0.00000
     24       6.5200     -0.00000
     25       6.6680     -0.00000
     26       6.9327     -0.00000
     27       6.9809     -0.00000
     28       7.0965     -0.00000
     29       7.2152     -0.00000
     30       7.2754     -0.00000
     31       7.3502     -0.00000
     32       7.5634     -0.00000
     33       8.3204     -0.00000
     34       8.5623     -0.00000
     35       8.7564     -0.00000
     36       9.0547     -0.00000
     37       9.2448     -0.00000
     38       9.4789     -0.00000
     39       9.7725     -0.00000
     40       9.8078     -0.00000
     41       9.9985      0.00000
     42      10.2324      0.00000
     43      10.4230      0.00000
     44      10.5756      0.00000

 k-point    27 :       0.2857    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.1585      2.00000
      2       1.5912      2.00000
      3       1.7293      2.00000
      4       1.9744      2.00000
      5       2.1671      2.00000
      6       2.2285      2.00000
      7       2.4099      2.00000
      8       2.6650      2.00000
      9       2.8490      2.00000
     10       2.9511      2.00000
     11       3.1369      2.00000
     12       3.2631      2.00000
     13       3.3566      2.00000
     14       3.5026      2.00000
     15       3.5181      2.00000
     16       3.5772      2.00000
     17       3.7539      2.00001
     18       3.8673      2.00020
     19       4.0179      2.00693
     20       4.2390      2.06786
     21       5.6206     -0.00000
     22       5.9793     -0.00000
     23       6.0051     -0.00000
     24       6.2219     -0.00000
     25       6.4365     -0.00000
     26       6.7063     -0.00000
     27       6.8823     -0.00000
     28       6.8845     -0.00000
     29       7.2210     -0.00000
     30       7.2857     -0.00000
     31       7.4841     -0.00000
     32       7.7798     -0.00000
     33       8.3230     -0.00000
     34       8.3342     -0.00000
     35       9.0379     -0.00000
     36       9.1192     -0.00000
     37       9.3226     -0.00000
     38       9.5028     -0.00000
     39       9.8488     -0.00000
     40      10.0382      0.00000
     41      10.2482      0.00000
     42      10.5177      0.00000
     43      10.7178      0.00000
     44      10.9592      0.00000

 k-point    28 :       0.4286    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.2562      2.00000
      2       1.3988      2.00000
      3       1.8312      2.00000
      4       1.9767      2.00000
      5       2.0764      2.00000
      6       2.2199      2.00000
      7       2.3319      2.00000
      8       2.4768      2.00000
      9       2.9465      2.00000
     10       3.0703      2.00000
     11       3.2570      2.00000
     12       3.3610      2.00000
     13       3.4592      2.00000
     14       3.6148      2.00000
     15       3.6372      2.00000
     16       3.6728      2.00000
     17       3.7595      2.00001
     18       3.8539      2.00014
     19       4.0031      2.00518
     20       4.1715      2.05806
     21       5.5296     -0.00000
     22       5.7583     -0.00000
     23       5.8331     -0.00000
     24       5.9016     -0.00000
     25       6.5019     -0.00000
     26       6.5643     -0.00000
     27       6.6337     -0.00000
     28       6.7744     -0.00000
     29       7.2619     -0.00000
     30       7.3093     -0.00000
     31       7.7153     -0.00000
     32       7.9269     -0.00000
     33       8.0611     -0.00000
     34       8.0963     -0.00000
     35       9.3069     -0.00000
     36       9.3577     -0.00000
     37       9.4251     -0.00000
     38       9.5406     -0.00000
     39       9.9038     -0.00000
     40      10.2386      0.00000
     41      10.2868      0.00000
     42      10.3717      0.00000
     43      11.0819      0.00000
     44      11.2427      0.00000

 k-point    29 :       0.0000    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.1181      2.00000
      2       1.4521      2.00000
      3       2.1561      2.00000
      4       2.1829      2.00000
      5       2.1881      2.00000
      6       2.2085      2.00000
      7       2.4689      2.00000
      8       2.5633      2.00000
      9       2.5796      2.00000
     10       3.0544      2.00000
     11       3.1745      2.00000
     12       3.1998      2.00000
     13       3.2422      2.00000
     14       3.2886      2.00000
     15       3.3329      2.00000
     16       3.4972      2.00000
     17       3.6116      2.00000
     18       3.8050      2.00003
     19       3.8601      2.00016
     20       4.1432      2.04520
     21       6.0642     -0.00000
     22       6.1237     -0.00000
     23       6.3162     -0.00000
     24       6.3434     -0.00000
     25       6.8774     -0.00000
     26       6.8885     -0.00000
     27       7.0073     -0.00000
     28       7.3222     -0.00000
     29       7.3723     -0.00000
     30       7.5528     -0.00000
     31       7.6172     -0.00000
     32       7.6285     -0.00000
     33       8.2102     -0.00000
     34       8.4044     -0.00000
     35       8.5838     -0.00000
     36       9.0797     -0.00000
     37       9.4046     -0.00000
     38       9.4125     -0.00000
     39       9.6375     -0.00000
     40       9.6787     -0.00000
     41       9.9103     -0.00000
     42      10.1584      0.00000
     43      10.2374      0.00000
     44      10.6102      0.00000

 k-point    30 :       0.1429    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.1368      2.00000
      2       1.4716      2.00000
      3       1.8749      2.00000
      4       2.1852      2.00000
      5       2.2159      2.00000
      6       2.2269      2.00000
      7       2.5459      2.00000
      8       2.6022      2.00000
      9       2.8563      2.00000
     10       2.8662      2.00000
     11       2.9947      2.00000
     12       3.2105      2.00000
     13       3.2966      2.00000
     14       3.3822      2.00000
     15       3.3882      2.00000
     16       3.5462      2.00000
     17       3.7120      2.00000
     18       3.8152      2.00004
     19       3.8687      2.00021
     20       4.1504      2.04855
     21       5.9512     -0.00000
     22       6.0129     -0.00000
     23       6.2051     -0.00000
     24       6.3467     -0.00000
     25       6.5551     -0.00000
     26       6.8029     -0.00000
     27       7.0146     -0.00000
     28       7.2649     -0.00000
     29       7.3418     -0.00000
     30       7.5566     -0.00000
     31       7.6574     -0.00000
     32       7.6685     -0.00000
     33       8.4052     -0.00000
     34       8.4668     -0.00000
     35       8.6488     -0.00000
     36       9.0433     -0.00000
     37       9.2959     -0.00000
     38       9.3896     -0.00000
     39       9.6914     -0.00000
     40       9.7876     -0.00000
     41      10.0087      0.00000
     42      10.3283      0.00000
     43      10.4249      0.00000
     44      10.6808      0.00000

 k-point    31 :       0.2857    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.1940      2.00000
      2       1.5309      2.00000
      3       1.6277      2.00000
      4       1.9699      2.00000
      5       2.2484      2.00000
      6       2.2893      2.00000
      7       2.6499      2.00000
      8       2.6580      2.00000
      9       2.7570      2.00000
     10       2.9593      2.00000
     11       3.0754      2.00000
     12       3.2318      2.00000
     13       3.3039      2.00000
     14       3.4299      2.00000
     15       3.6148      2.00000
     16       3.6367      2.00000
     17       3.7505      2.00001
     18       3.8062      2.00003
     19       3.9845      2.00353
     20       4.1573      2.05172
     21       5.5938     -0.00000
     22       5.8771     -0.00000
     23       6.0050     -0.00000
     24       6.0908     -0.00000
     25       6.3805     -0.00000
     26       6.6046     -0.00000
     27       6.9719     -0.00000
     28       6.9893     -0.00000
     29       7.3949     -0.00000
     30       7.5267     -0.00000
     31       7.7396     -0.00000
     32       7.8152     -0.00000
     33       8.3416     -0.00000
     34       8.4856     -0.00000
     35       8.8680     -0.00000
     36       9.1161     -0.00000
     37       9.3586     -0.00000
     38       9.4970     -0.00000
     39       9.7209     -0.00000
     40       9.9558      0.00000
     41      10.2675      0.00000
     42      10.4540      0.00000
     43      10.7324      0.00000
     44      10.9160      0.00000

 k-point    32 :       0.4286    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.2920      2.00000
      2       1.4350      2.00000
      3       1.6318      2.00000
      4       1.7772      2.00000
      5       2.3396      2.00000
      6       2.3999      2.00000
      7       2.4762      2.00000
      8       2.5641      2.00000
      9       2.7556      2.00000
     10       2.8996      2.00000
     11       3.3388      2.00000
     12       3.4233      2.00000
     13       3.4997      2.00000
     14       3.5558      2.00000
     15       3.5596      2.00000
     16       3.6532      2.00000
     17       3.7103      2.00000
     18       3.8770      2.00026
     19       3.9999      2.00485
     20       4.1190      2.03444
     21       5.4602     -0.00000
     22       5.7390     -0.00000
     23       5.7579     -0.00000
     24       5.7825     -0.00000
     25       6.4472     -0.00000
     26       6.5455     -0.00000
     27       6.6826     -0.00000
     28       6.9272     -0.00000
     29       7.4149     -0.00000
     30       7.5439     -0.00000
     31       7.8667     -0.00000
     32       7.9375     -0.00000
     33       8.1302     -0.00000
     34       8.3180     -0.00000
     35       9.1820     -0.00000
     36       9.2831     -0.00000
     37       9.4182     -0.00000
     38       9.6081     -0.00000
     39       9.6778     -0.00000
     40      10.1423      0.00000
     41      10.3942      0.00000
     42      10.4103      0.00000
     43      10.8359      0.00000
     44      11.0368      0.00000

 k-point    33 :       0.0000    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.1896      2.00000
      2       1.2999      2.00000
      3       2.2233      2.00000
      4       2.2731      2.00000
      5       2.2842      2.00000
      6       2.3296      2.00000
      7       2.3891      2.00000
      8       2.4062      2.00000
      9       2.5341      2.00000
     10       2.8751      2.00000
     11       3.1936      2.00000
     12       3.3059      2.00000
     13       3.3251      2.00000
     14       3.4437      2.00000
     15       3.4509      2.00000
     16       3.5102      2.00000
     17       3.6098      2.00000
     18       3.7186      2.00000
     19       3.7243      2.00000
     20       3.9426      2.00138
     21       6.0074     -0.00000
     22       6.0912     -0.00000
     23       6.2833     -0.00000
     24       6.4933     -0.00000
     25       6.5589     -0.00000
     26       6.6951     -0.00000
     27       7.1548     -0.00000
     28       7.2931     -0.00000
     29       7.5621     -0.00000
     30       7.6606     -0.00000
     31       8.0020     -0.00000
     32       8.0567     -0.00000
     33       8.1866     -0.00000
     34       8.4061     -0.00000
     35       8.5080     -0.00000
     36       9.1113     -0.00000
     37       9.1717     -0.00000
     38       9.2536     -0.00000
     39       9.5406     -0.00000
     40       9.6475     -0.00000
     41       9.7905     -0.00000
     42       9.9398      0.00000
     43      10.7013      0.00000
     44      10.9186      0.00000

 k-point    34 :       0.1429    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.2085      2.00000
      2       1.3191      2.00000
      3       1.9482      2.00000
      4       2.0600      2.00000
      5       2.2957      2.00000
      6       2.4261      2.00000
      7       2.5312      2.00000
      8       2.6124      2.00000
      9       2.7333      2.00000
     10       2.9002      2.00000
     11       2.9971      2.00000
     12       3.1371      2.00000
     13       3.2433      2.00000
     14       3.5085      2.00000
     15       3.5193      2.00000
     16       3.6288      2.00000
     17       3.6917      2.00000
     18       3.7091      2.00000
     19       3.8283      2.00006
     20       3.9579      2.00197
     21       5.9536     -0.00000
     22       6.0086     -0.00000
     23       6.1008     -0.00000
     24       6.3144     -0.00000
     25       6.4669     -0.00000
     26       6.6258     -0.00000
     27       7.1322     -0.00000
     28       7.2361     -0.00000
     29       7.5592     -0.00000
     30       7.6854     -0.00000
     31       7.9459     -0.00000
     32       8.1218     -0.00000
     33       8.2407     -0.00000
     34       8.4698     -0.00000
     35       8.6903     -0.00000
     36       9.0777     -0.00000
     37       9.1408     -0.00000
     38       9.2813     -0.00000
     39       9.5673     -0.00000
     40       9.7395     -0.00000
     41       9.8938     -0.00000
     42      10.0952      0.00000
     43      10.6904      0.00000
     44      10.8866      0.00000

 k-point    35 :       0.2857    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.2662      2.00000
      2       1.3775      2.00000
      3       1.7017      2.00000
      4       1.8151      2.00000
      5       2.3548      2.00000
      6       2.4863      2.00000
      7       2.5982      2.00000
      8       2.7817      2.00000
      9       2.8872      2.00000
     10       2.9575      2.00000
     11       3.0360      2.00000
     12       3.0617      2.00000
     13       3.1255      2.00000
     14       3.3583      2.00000
     15       3.7089      2.00000
     16       3.7109      2.00000
     17       3.7806      2.00001
     18       3.8600      2.00016
     19       3.9375      2.00122
     20       3.9967      2.00454
     21       5.6719     -0.00000
     22       5.7992     -0.00000
     23       5.8880     -0.00000
     24       5.8953     -0.00000
     25       6.4574     -0.00000
     26       6.5272     -0.00000
     27       7.0155     -0.00000
     28       7.0167     -0.00000
     29       7.6139     -0.00000
     30       7.7788     -0.00000
     31       7.9325     -0.00000
     32       8.1524     -0.00000
     33       8.2322     -0.00000
     34       8.5649     -0.00000
     35       8.8048     -0.00000
     36       9.1649     -0.00000
     37       9.1723     -0.00000
     38       9.3583     -0.00000
     39       9.7395     -0.00000
     40       9.9726      0.00000
     41      10.0456      0.00000
     42      10.3555      0.00000
     43      10.6450      0.00000
     44      10.9334      0.00000

 k-point    36 :       0.4286    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.3650      2.00000
      2       1.4773      2.00000
      3       1.5087      2.00000
      4       1.6219      2.00000
      5       2.4534      2.00000
      6       2.5858      2.00000
      7       2.5903      2.00000
      8       2.7165      2.00000
      9       2.7297      2.00000
     10       2.8606      2.00000
     11       3.0611      2.00000
     12       3.2011      2.00000
     13       3.4519      2.00000
     14       3.5018      2.00000
     15       3.7249      2.00000
     16       3.7368      2.00000
     17       3.7763      2.00001
     18       3.9294      2.00100
     19       3.9468      2.00152
     20       4.0189      2.00705
     21       5.4727     -0.00000
     22       5.5954     -0.00000
     23       5.6752     -0.00000
     24       5.6907     -0.00000
     25       6.4946     -0.00000
     26       6.5345     -0.00000
     27       6.7669     -0.00000
     28       6.8778     -0.00000
     29       7.6697     -0.00000
     30       7.8695     -0.00000
     31       7.8728     -0.00000
     32       8.0801     -0.00000
     33       8.2982     -0.00000
     34       8.6783     -0.00000
     35       8.8303     -0.00000
     36       9.0758     -0.00000
     37       9.3348     -0.00000
     38       9.4545     -0.00000
     39       9.8270     -0.00000
     40      10.0925      0.00000
     41      10.2669      0.00000
     42      10.5177      0.00000
     43      10.6321      0.00000
     44      10.8473      0.00000

 k-point    37 :       0.0000    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.2033      2.00000
      2       1.7908      2.00000
      3       1.8360      2.00000
      4       2.0426      2.00000
      5       2.2428      2.00000
      6       2.2935      2.00000
      7       2.4968      2.00000
      8       2.7401      2.00000
      9       2.7685      2.00000
     10       2.8556      2.00000
     11       2.8621      2.00000
     12       2.9086      2.00000
     13       3.0823      2.00000
     14       3.1044      2.00000
     15       3.4140      2.00000
     16       3.4294      2.00000
     17       3.6033      2.00000
     18       3.6171      2.00000
     19       3.6756      2.00000
     20       4.3651      1.74044
     21       6.1309     -0.00000
     22       6.4737     -0.00000
     23       6.5359     -0.00000
     24       7.0786     -0.00000
     25       7.1582     -0.00000
     26       7.2408     -0.00000
     27       7.2517     -0.00000
     28       7.3203     -0.00000
     29       7.4470     -0.00000
     30       7.5276     -0.00000
     31       7.5868     -0.00000
     32       7.8825     -0.00000
     33       8.1464     -0.00000
     34       8.2141     -0.00000
     35       8.6000     -0.00000
     36       9.2197     -0.00000
     37       9.3645     -0.00000
     38       9.3882     -0.00000
     39       9.4907     -0.00000
     40       9.5399     -0.00000
     41       9.6832     -0.00000
     42       9.7337     -0.00000
     43      10.0165      0.00000
     44      10.6933      0.00000

 k-point    38 :       0.1429    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.2222      2.00000
      2       1.8093      2.00000
      3       1.8569      2.00000
      4       1.9634      2.00000
      5       2.0629      2.00000
      6       2.5028      2.00000
      7       2.5187      2.00000
      8       2.6041      2.00000
      9       2.6360      2.00000
     10       2.7960      2.00000
     11       2.7988      2.00000
     12       3.1232      2.00000
     13       3.1900      2.00000
     14       3.2127      2.00000
     15       3.3917      2.00000
     16       3.4306      2.00000
     17       3.6029      2.00000
     18       3.7308      2.00000
     19       3.7832      2.00002
     20       4.3659      1.73604
     21       6.0695     -0.00000
     22       6.1937     -0.00000
     23       6.4120     -0.00000
     24       6.8157     -0.00000
     25       6.8981     -0.00000
     26       7.1501     -0.00000
     27       7.2692     -0.00000
     28       7.2789     -0.00000
     29       7.4015     -0.00000
     30       7.6215     -0.00000
     31       7.6221     -0.00000
     32       7.8541     -0.00000
     33       8.3264     -0.00000
     34       8.4577     -0.00000
     35       8.6638     -0.00000
     36       9.0723     -0.00000
     37       9.1987     -0.00000
     38       9.4282     -0.00000
     39       9.5579     -0.00000
     40       9.6994     -0.00000
     41       9.8986     -0.00000
     42       9.9085     -0.00000
     43      10.2779      0.00000
     44      10.6420      0.00000

 k-point    39 :       0.2857    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.2798      2.00000
      2       1.7160      2.00000
      3       1.8658      2.00000
      4       1.9191      2.00000
      5       2.1233      2.00000
      6       2.2897      2.00000
      7       2.3667      2.00000
      8       2.5649      2.00000
      9       2.5677      2.00000
     10       2.8277      2.00000
     11       2.9728      2.00000
     12       3.0703      2.00000
     13       3.2626      2.00000
     14       3.4315      2.00000
     15       3.5101      2.00000
     16       3.6779      2.00000
     17       3.7139      2.00000
     18       3.8199      2.00005
     19       3.9357      2.00117
     20       4.3468      1.83287
     21       5.7481     -0.00000
     22       5.9169     -0.00000
     23       6.1131     -0.00000
     24       6.3038     -0.00000
     25       6.8170     -0.00000
     26       6.8375     -0.00000
     27       6.9005     -0.00000
     28       7.2362     -0.00000
     29       7.4829     -0.00000
     30       7.7084     -0.00000
     31       7.7555     -0.00000
     32       7.8948     -0.00000
     33       8.2329     -0.00000
     34       8.4388     -0.00000
     35       9.0692     -0.00000
     36       9.1774     -0.00000
     37       9.3573     -0.00000
     38       9.4391     -0.00000
     39       9.6183     -0.00000
     40       9.9783      0.00000
     41      10.2302      0.00000
     42      10.2701      0.00000
     43      10.4453      0.00000
     44      10.7748      0.00000

 k-point    40 :       0.4286    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.3786      2.00000
      2       1.5225      2.00000
      3       1.9622      2.00000
      4       2.0218      2.00000
      5       2.1027      2.00000
      6       2.1717      2.00000
      7       2.2329      2.00000
      8       2.3783      2.00000
      9       2.6598      2.00000
     10       2.7943      2.00000
     11       2.9439      2.00000
     12       3.0772      2.00000
     13       3.5042      2.00000
     14       3.6626      2.00000
     15       3.6966      2.00000
     16       3.7297      2.00000
     17       3.8291      2.00007
     18       3.8985      2.00046
     19       4.0227      2.00758
     20       4.2479      2.06388
     21       5.5728     -0.00000
     22       5.7778     -0.00000
     23       5.8020     -0.00000
     24       5.9229     -0.00000
     25       6.6344     -0.00000
     26       6.6629     -0.00000
     27       6.8620     -0.00000
     28       7.1244     -0.00000
     29       7.5347     -0.00000
     30       7.6510     -0.00000
     31       7.8614     -0.00000
     32       8.0083     -0.00000
     33       8.0231     -0.00000
     34       8.3405     -0.00000
     35       9.2941     -0.00000
     36       9.4195     -0.00000
     37       9.4450     -0.00000
     38       9.5783     -0.00000
     39       9.7439     -0.00000
     40      10.1893      0.00000
     41      10.1913      0.00000
     42      10.3922      0.00000
     43      10.8358      0.00000
     44      11.1331      0.00000

 k-point    41 :       0.0000    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.2400      2.00000
      2       1.5872      2.00000
      3       1.8784      2.00000
      4       2.2547      2.00000
      5       2.2962      2.00000
      6       2.3326      2.00000
      7       2.3384      2.00000
      8       2.5924      2.00000
      9       2.6903      2.00000
     10       2.9018      2.00000
     11       2.9435      2.00000
     12       3.0779      2.00000
     13       3.2465      2.00000
     14       3.2728      2.00000
     15       3.2769      2.00000
     16       3.3257      2.00000
     17       3.4604      2.00000
     18       3.6748      2.00000
     19       3.6888      2.00000
     20       4.1566      2.05141
     21       6.1427     -0.00000
     22       6.3827     -0.00000
     23       6.5199     -0.00000
     24       6.8082     -0.00000
     25       7.0005     -0.00000
     26       7.1161     -0.00000
     27       7.3935     -0.00000
     28       7.5405     -0.00000
     29       7.5676     -0.00000
     30       7.6019     -0.00000
     31       7.6396     -0.00000
     32       8.1172     -0.00000
     33       8.2034     -0.00000
     34       8.2113     -0.00000
     35       8.8036     -0.00000
     36       9.0699     -0.00000
     37       9.3083     -0.00000
     38       9.4280     -0.00000
     39       9.4946     -0.00000
     40       9.6218     -0.00000
     41       9.9059     -0.00000
     42      10.0628      0.00000
     43      10.0632      0.00000
     44      10.7424      0.00000

 k-point    42 :       0.1429    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.2590      2.00000
      2       1.6068      2.00000
      3       1.8982      2.00000
      4       2.0011      2.00000
      5       2.2887      2.00000
      6       2.3374      2.00000
      7       2.3668      2.00000
      8       2.6389      2.00000
      9       2.6659      2.00000
     10       2.9766      2.00000
     11       3.0028      2.00000
     12       3.0502      2.00000
     13       3.1155      2.00000
     14       3.2593      2.00000
     15       3.3906      2.00000
     16       3.5397      2.00000
     17       3.5640      2.00000
     18       3.6343      2.00000
     19       3.7347      2.00000
     20       4.1641      2.05482
     21       6.0661     -0.00000
     22       6.1230     -0.00000
     23       6.4230     -0.00000
     24       6.6328     -0.00000
     25       6.7804     -0.00000
     26       7.0666     -0.00000
     27       7.2938     -0.00000
     28       7.3786     -0.00000
     29       7.5560     -0.00000
     30       7.7134     -0.00000
     31       7.7677     -0.00000
     32       8.1780     -0.00000
     33       8.3274     -0.00000
     34       8.4128     -0.00000
     35       8.7281     -0.00000
     36       9.0920     -0.00000
     37       9.1673     -0.00000
     38       9.5549     -0.00000
     39       9.5718     -0.00000
     40       9.6586     -0.00000
     41      10.0509      0.00000
     42      10.2112      0.00000
     43      10.2248      0.00000
     44      10.7166      0.00000

 k-point    43 :       0.2857    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.3169      2.00000
      2       1.6661      2.00000
      3       1.7539      2.00000
      4       1.9577      2.00000
      5       2.1047      2.00000
      6       2.3489      2.00000
      7       2.3791      2.00000
      8       2.4426      2.00000
      9       2.7795      2.00000
     10       2.8413      2.00000
     11       3.0330      2.00000
     12       3.1997      2.00000
     13       3.3316      2.00000
     14       3.4205      2.00000
     15       3.5158      2.00000
     16       3.5544      2.00000
     17       3.6955      2.00000
     18       3.7694      2.00001
     19       3.8632      2.00018
     20       4.1724      2.05845
     21       5.6922     -0.00000
     22       5.8666     -0.00000
     23       6.0931     -0.00000
     24       6.1057     -0.00000
     25       6.7971     -0.00000
     26       6.8814     -0.00000
     27       7.0167     -0.00000
     28       7.4745     -0.00000
     29       7.5247     -0.00000
     30       7.7176     -0.00000
     31       7.8435     -0.00000
     32       8.1194     -0.00000
     33       8.2795     -0.00000
     34       8.6163     -0.00000
     35       8.9520     -0.00000
     36       9.1892     -0.00000
     37       9.3094     -0.00000
     38       9.6260     -0.00000
     39       9.6602     -0.00000
     40       9.8120     -0.00000
     41      10.2040      0.00000
     42      10.3878      0.00000
     43      10.5278      0.00000
     44      10.8111      0.00000

 k-point    44 :       0.4286    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.4160      2.00000
      2       1.5602      2.00000
      3       1.7667      2.00000
      4       1.9114      2.00000
      5       2.0603      2.00000
      6       2.2041      2.00000
      7       2.4493      2.00000
      8       2.5267      2.00000
      9       2.5962      2.00000
     10       2.6669      2.00000
     11       3.2031      2.00000
     12       3.3091      2.00000
     13       3.5020      2.00000
     14       3.5861      2.00000
     15       3.6173      2.00000
     16       3.6649      2.00000
     17       3.7115      2.00000
     18       3.8740      2.00024
     19       3.9870      2.00372
     20       4.1346      2.04126
     21       5.4861     -0.00000
     22       5.6790     -0.00000
     23       5.7341     -0.00000
     24       5.7366     -0.00000
     25       6.7614     -0.00000
     26       6.8301     -0.00000
     27       6.8533     -0.00000
     28       7.4959     -0.00000
     29       7.5715     -0.00000
     30       7.6601     -0.00000
     31       7.9225     -0.00000
     32       8.0567     -0.00000
     33       8.0642     -0.00000
     34       8.6327     -0.00000
     35       9.2542     -0.00000
     36       9.3768     -0.00000
     37       9.5101     -0.00000
     38       9.6404     -0.00000
     39       9.6740     -0.00000
     40       9.9782      0.00000
     41      10.2650      0.00000
     42      10.4125      0.00000
     43      10.6587      0.00000
     44      10.8344      0.00000

 k-point    45 :       0.0000    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.3147      2.00000
      2       1.4294      2.00000
      3       1.9639      2.00000
      4       2.0934      2.00000
      5       2.3511      2.00000
      6       2.4105      2.00000
      7       2.4555      2.00000
      8       2.5214      2.00000
      9       2.6865      2.00000
     10       2.9868      2.00000
     11       3.0096      2.00000
     12       3.0408      2.00000
     13       3.1068      2.00000
     14       3.2034      2.00000
     15       3.4425      2.00000
     16       3.4748      2.00000
     17       3.5266      2.00000
     18       3.6434      2.00000
     19       3.6601      2.00000
     20       3.8279      2.00006
     21       6.2279     -0.00000
     22       6.3367     -0.00000
     23       6.5778     -0.00000
     24       6.6344     -0.00000
     25       6.7495     -0.00000
     26       6.7814     -0.00000
     27       7.4959     -0.00000
     28       7.5520     -0.00000
     29       7.7940     -0.00000
     30       7.8151     -0.00000
     31       7.9020     -0.00000
     32       8.0049     -0.00000
     33       8.5174     -0.00000
     34       8.5184     -0.00000
     35       8.7104     -0.00000
     36       9.1347     -0.00000
     37       9.1834     -0.00000
     38       9.2883     -0.00000
     39       9.5423     -0.00000
     40       9.6764     -0.00000
     41       9.7794     -0.00000
     42      10.0684      0.00000
     43      10.5700      0.00000
     44      10.7817      0.00000

 k-point    46 :       0.1429    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.3338      2.00000
      2       1.4488      2.00000
      3       1.9837      2.00000
      4       2.0763      2.00000
      5       2.1145      2.00000
      6       2.1919      2.00000
      7       2.6634      2.00000
      8       2.7290      2.00000
      9       2.7516      2.00000
     10       2.8482      2.00000
     11       2.8596      2.00000
     12       3.0794      2.00000
     13       3.2697      2.00000
     14       3.3801      2.00000
     15       3.3937      2.00000
     16       3.4876      2.00000
     17       3.5993      2.00000
     18       3.6561      2.00000
     19       3.6877      2.00000
     20       3.8429      2.00010
     21       6.1230     -0.00000
     22       6.1546     -0.00000
     23       6.3056     -0.00000
     24       6.3877     -0.00000
     25       6.7814     -0.00000
     26       6.8876     -0.00000
     27       7.3708     -0.00000
     28       7.3826     -0.00000
     29       7.7761     -0.00000
     30       7.8657     -0.00000
     31       7.9903     -0.00000
     32       8.1744     -0.00000
     33       8.4697     -0.00000
     34       8.6385     -0.00000
     35       8.7280     -0.00000
     36       9.1738     -0.00000
     37       9.2520     -0.00000
     38       9.2810     -0.00000
     39       9.6080     -0.00000
     40       9.7947     -0.00000
     41       9.8696     -0.00000
     42      10.1309      0.00000
     43      10.5670      0.00000
     44      10.7248      0.00000

 k-point    47 :       0.2857    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.3921      2.00000
      2       1.5077      2.00000
      3       1.8304      2.00000
      4       1.9465      2.00000
      5       2.0448      2.00000
      6       2.1744      2.00000
      7       2.4800      2.00000
      8       2.6116      2.00000
      9       2.7655      2.00000
     10       3.0743      2.00000
     11       3.1335      2.00000
     12       3.1760      2.00000
     13       3.2334      2.00000
     14       3.4069      2.00000
     15       3.5554      2.00000
     16       3.6170      2.00000
     17       3.6393      2.00000
     18       3.7767      2.00001
     19       3.7845      2.00002
     20       3.8874      2.00034
     21       5.7230     -0.00000
     22       5.8367     -0.00000
     23       5.9238     -0.00000
     24       5.9829     -0.00000
     25       6.8361     -0.00000
     26       6.8679     -0.00000
     27       7.1802     -0.00000
     28       7.3353     -0.00000
     29       7.7745     -0.00000
     30       7.8822     -0.00000
     31       7.9790     -0.00000
     32       8.2318     -0.00000
     33       8.4569     -0.00000
     34       8.7046     -0.00000
     35       8.9107     -0.00000
     36       9.2629     -0.00000
     37       9.3492     -0.00000
     38       9.4290     -0.00000
     39       9.7248     -0.00000
     40       9.9378      0.00000
     41      10.0354      0.00000
     42      10.3187      0.00000
     43      10.5426      0.00000
     44      10.8330      0.00000

 k-point    48 :       0.4286    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.4918      2.00000
      2       1.6081      2.00000
      3       1.6367      2.00000
      4       1.7534      2.00000
      5       2.1459      2.00000
      6       2.2760      2.00000
      7       2.2919      2.00000
      8       2.4235      2.00000
      9       2.8591      2.00000
     10       2.9885      2.00000
     11       3.1978      2.00000
     12       3.3017      2.00000
     13       3.4627      2.00000
     14       3.5527      2.00000
     15       3.5785      2.00000
     16       3.6903      2.00000
     17       3.7026      2.00000
     18       3.8699      2.00021
     19       3.8818      2.00030
     20       3.9485      2.00158
     21       5.4606     -0.00000
     22       5.5422     -0.00000
     23       5.6231     -0.00000
     24       5.6560     -0.00000
     25       6.8339     -0.00000
     26       6.8606     -0.00000
     27       7.0817     -0.00000
     28       7.3424     -0.00000
     29       7.8111     -0.00000
     30       7.8990     -0.00000
     31       7.9349     -0.00000
     32       8.0687     -0.00000
     33       8.4577     -0.00000
     34       8.9235     -0.00000
     35       8.9714     -0.00000
     36       9.1992     -0.00000
     37       9.5040     -0.00000
     38       9.5694     -0.00000
     39       9.7738     -0.00000
     40       9.9352      0.00000
     41      10.2004      0.00000
     42      10.5002      0.00000
     43      10.5994      0.00000
     44      10.8559      0.00000

 k-point    49 :       0.0000    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.3672      2.00000
      2       1.5773      2.00000
      3       1.9791      2.00000
      4       2.2085      2.00000
      5       2.2357      2.00000
      6       2.3974      2.00000
      7       2.4499      2.00000
      8       2.5213      2.00000
      9       2.6276      2.00000
     10       2.6500      2.00000
     11       2.9653      2.00000
     12       3.0386      2.00000
     13       3.1752      2.00000
     14       3.1992      2.00000
     15       3.2267      2.00000
     16       3.2412      2.00000
     17       3.3872      2.00000
     18       3.4102      2.00000
     19       3.9161      2.00072
     20       4.1900      2.06523
     21       6.3839     -0.00000
     22       6.5991     -0.00000
     23       6.8427     -0.00000
     24       7.1343     -0.00000
     25       7.2190     -0.00000
     26       7.2395     -0.00000
     27       7.2570     -0.00000
     28       7.4024     -0.00000
     29       7.7539     -0.00000
     30       7.7873     -0.00000
     31       7.8022     -0.00000
     32       8.0672     -0.00000
     33       8.2195     -0.00000
     34       8.4489     -0.00000
     35       8.7239     -0.00000
     36       9.0886     -0.00000
     37       9.1757     -0.00000
     38       9.3731     -0.00000
     39       9.4815     -0.00000
     40       9.4906     -0.00000
     41       9.5141     -0.00000
     42       9.6515     -0.00000
     43       9.6655     -0.00000
     44       9.9326      0.00000

 k-point    50 :       0.1429    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.3864      2.00000
      2       1.5966      2.00000
      3       1.9988      2.00000
      4       2.1253      2.00000
      5       2.2390      2.00000
      6       2.2491      2.00000
      7       2.3520      2.00000
      8       2.4996      2.00000
      9       2.7199      2.00000
     10       2.7974      2.00000
     11       2.9220      2.00000
     12       2.9487      2.00000
     13       3.0362      2.00000
     14       3.1820      2.00000
     15       3.3076      2.00000
     16       3.4766      2.00000
     17       3.4786      2.00000
     18       3.6076      2.00000
     19       3.9415      2.00134
     20       4.2008      2.06838
     21       6.2374     -0.00000
     22       6.3076     -0.00000
     23       6.6351     -0.00000
     24       6.7811     -0.00000
     25       7.0892     -0.00000
     26       7.1206     -0.00000
     27       7.2893     -0.00000
     28       7.3428     -0.00000
     29       7.7250     -0.00000
     30       7.7523     -0.00000
     31       8.0548     -0.00000
     32       8.2915     -0.00000
     33       8.3284     -0.00000
     34       8.6139     -0.00000
     35       8.7064     -0.00000
     36       8.9966     -0.00000
     37       9.0379     -0.00000
     38       9.3368     -0.00000
     39       9.3916     -0.00000
     40       9.6450     -0.00000
     41       9.7161     -0.00000
     42       9.7753     -0.00000
     43       9.9573      0.00000
     44      10.1364      0.00000

 k-point    51 :       0.2857    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.4448      2.00000
      2       1.6554      2.00000
      3       1.8830      2.00000
      4       2.0518      2.00000
      5       2.1006      2.00000
      6       2.2943      2.00000
      7       2.3222      2.00000
      8       2.4931      2.00000
      9       2.5576      2.00000
     10       2.7175      2.00000
     11       2.7397      2.00000
     12       2.9599      2.00000
     13       3.2252      2.00000
     14       3.3613      2.00000
     15       3.5898      2.00000
     16       3.6964      2.00000
     17       3.7288      2.00000
     18       3.7756      2.00001
     19       4.0104      2.00599
     20       4.2170      2.07084
     21       5.8488     -0.00000
     22       5.9092     -0.00000
     23       6.1803     -0.00000
     24       6.2512     -0.00000
     25       6.9660     -0.00000
     26       7.0140     -0.00000
     27       7.0862     -0.00000
     28       7.1908     -0.00000
     29       7.7488     -0.00000
     30       7.7834     -0.00000
     31       8.1550     -0.00000
     32       8.1948     -0.00000
     33       8.4585     -0.00000
     34       8.8494     -0.00000
     35       9.0055     -0.00000
     36       9.0093     -0.00000
     37       9.1466     -0.00000
     38       9.3700     -0.00000
     39       9.3755     -0.00000
     40       9.7119     -0.00000
     41      10.0431      0.00000
     42      10.0848      0.00000
     43      10.3721      0.00000
     44      10.5716      0.00000

 k-point    52 :       0.4286    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.5446      2.00000
      2       1.6894      2.00000
      3       1.7555      2.00000
      4       1.8997      2.00000
      5       2.1620      2.00000
      6       2.3056      2.00000
      7       2.3921      2.00000
      8       2.4210      2.00000
      9       2.5322      2.00000
     10       2.5619      2.00000
     11       2.6606      2.00000
     12       2.7970      2.00000
     13       3.5883      2.00000
     14       3.6508      2.00000
     15       3.7382      2.00000
     16       3.7621      2.00001
     17       3.9054      2.00055
     18       3.9740      2.00282
     19       4.0206      2.00729
     20       4.1685      2.05675
     21       5.6116     -0.00000
     22       5.6922     -0.00000
     23       5.7806     -0.00000
     24       5.8326     -0.00000
     25       6.8633     -0.00000
     26       6.9052     -0.00000
     27       6.9708     -0.00000
     28       7.0873     -0.00000
     29       7.8110     -0.00000
     30       7.8590     -0.00000
     31       7.9724     -0.00000
     32       7.9959     -0.00000
     33       8.6173     -0.00000
     34       8.8886     -0.00000
     35       9.1788     -0.00000
     36       9.2010     -0.00000
     37       9.3432     -0.00000
     38       9.3566     -0.00000
     39       9.4594     -0.00000
     40       9.6497     -0.00000
     41      10.3465      0.00000
     42      10.5630      0.00000
     43      10.6259      0.00000
     44      10.9398      0.00000

 k-point    53 :       0.0000    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.4058      2.00000
      2       1.6179      2.00000
      3       1.7684      2.00000
      4       1.9956      2.00000
      5       2.4475      2.00000
      6       2.4903      2.00000
      7       2.5204      2.00000
      8       2.6576      2.00000
      9       2.7113      2.00000
     10       2.8108      2.00000
     11       2.8162      2.00000
     12       2.8593      2.00000
     13       3.0106      2.00000
     14       3.0562      2.00000
     15       3.3807      2.00000
     16       3.4278      2.00000
     17       3.5210      2.00000
     18       3.5473      2.00000
     19       3.6813      2.00000
     20       3.9460      2.00149
     21       6.4209     -0.00000
     22       6.5731     -0.00000
     23       6.6316     -0.00000
     24       6.8528     -0.00000
     25       7.2766     -0.00000
     26       7.3059     -0.00000
     27       7.4943     -0.00000
     28       7.5570     -0.00000
     29       7.6282     -0.00000
     30       7.6308     -0.00000
     31       7.7918     -0.00000
     32       8.0005     -0.00000
     33       8.3650     -0.00000
     34       8.7137     -0.00000
     35       8.8458     -0.00000
     36       9.0691     -0.00000
     37       9.2295     -0.00000
     38       9.2548     -0.00000
     39       9.5291     -0.00000
     40       9.7111     -0.00000
     41       9.8230     -0.00000
     42       9.8458     -0.00000
     43       9.8581     -0.00000
     44      10.1848      0.00000

 k-point    54 :       0.1429    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.4251      2.00000
      2       1.6373      2.00000
      3       1.7883      2.00000
      4       2.0149      2.00000
      5       2.1714      2.00000
      6       2.3724      2.00000
      7       2.5264      2.00000
      8       2.5776      2.00000
      9       2.7327      2.00000
     10       2.7741      2.00000
     11       2.9042      2.00000
     12       3.0167      2.00000
     13       3.1433      2.00000
     14       3.2317      2.00000
     15       3.3082      2.00000
     16       3.4051      2.00000
     17       3.5934      2.00000
     18       3.6534      2.00000
     19       3.7165      2.00000
     20       3.9618      2.00215
     21       6.2378     -0.00000
     22       6.2468     -0.00000
     23       6.5460     -0.00000
     24       6.6162     -0.00000
     25       7.0958     -0.00000
     26       7.1079     -0.00000
     27       7.4765     -0.00000
     28       7.5116     -0.00000
     29       7.7437     -0.00000
     30       7.8498     -0.00000
     31       7.9393     -0.00000
     32       8.0946     -0.00000
     33       8.4176     -0.00000
     34       8.6810     -0.00000
     35       8.8473     -0.00000
     36       9.0768     -0.00000
     37       9.1577     -0.00000
     38       9.3081     -0.00000
     39       9.6415     -0.00000
     40       9.7410     -0.00000
     41       9.7680     -0.00000
     42       9.9758      0.00000
     43      10.1748      0.00000
     44      10.3230      0.00000

 k-point    55 :       0.2857    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.4837      2.00000
      2       1.6962      2.00000
      3       1.8484      2.00000
      4       1.9226      2.00000
      5       2.0777      2.00000
      6       2.1348      2.00000
      7       2.2907      2.00000
      8       2.5139      2.00000
      9       2.6262      2.00000
     10       2.8599      2.00000
     11       3.0031      2.00000
     12       3.1733      2.00000
     13       3.2946      2.00000
     14       3.3871      2.00000
     15       3.4954      2.00000
     16       3.5764      2.00000
     17       3.7187      2.00000
     18       3.7477      2.00000
     19       3.8304      2.00007
     20       4.0031      2.00518
     21       5.7906     -0.00000
     22       5.8647     -0.00000
     23       6.0894     -0.00000
     24       6.0939     -0.00000
     25       7.0840     -0.00000
     26       7.1013     -0.00000
     27       7.2584     -0.00000
     28       7.4172     -0.00000
     29       7.7929     -0.00000
     30       7.8550     -0.00000
     31       8.1197     -0.00000
     32       8.2190     -0.00000
     33       8.4091     -0.00000
     34       8.7703     -0.00000
     35       8.9573     -0.00000
     36       9.1408     -0.00000
     37       9.2191     -0.00000
     38       9.3905     -0.00000
     39       9.6839     -0.00000
     40       9.8763     -0.00000
     41       9.9072     -0.00000
     42      10.1061      0.00000
     43      10.5167      0.00000
     44      10.7281      0.00000

 k-point    56 :       0.4286    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.5839      2.00000
      2       1.7291      2.00000
      3       1.7964      2.00000
      4       1.9343      2.00000
      5       1.9586      2.00000
      6       2.0988      2.00000
      7       2.1781      2.00000
      8       2.3251      2.00000
      9       2.7189      2.00000
     10       2.8489      2.00000
     11       2.9510      2.00000
     12       3.0702      2.00000
     13       3.5876      2.00000
     14       3.6405      2.00000
     15       3.6769      2.00000
     16       3.7042      2.00000
     17       3.7832      2.00002
     18       3.8973      2.00045
     19       3.9050      2.00054
     20       4.0218      2.00747
     21       5.5162     -0.00000
     22       5.5851     -0.00000
     23       5.6753     -0.00000
     24       5.6830     -0.00000
     25       7.0743     -0.00000
     26       7.1196     -0.00000
     27       7.1290     -0.00000
     28       7.3695     -0.00000
     29       7.8063     -0.00000
     30       7.8807     -0.00000
     31       8.0504     -0.00000
     32       8.0668     -0.00000
     33       8.4343     -0.00000
     34       8.9914     -0.00000
     35       9.0636     -0.00000
     36       9.3093     -0.00000
     37       9.3466     -0.00000
     38       9.4953     -0.00000
     39       9.5399     -0.00000
     40       9.7682     -0.00000
     41      10.1263      0.00000
     42      10.3380      0.00000
     43      10.6508      0.00000
     44      10.8968      0.00000

 k-point    57 :       0.0000    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.4841      2.00000
      2       1.6042      2.00000
      3       1.7001      2.00000
      4       1.8254      2.00000
      5       2.5215      2.00000
      6       2.5701      2.00000
      7       2.6219      2.00000
      8       2.6775      2.00000
      9       2.7328      2.00000
     10       2.7832      2.00000
     11       2.8578      2.00000
     12       2.8900      2.00000
     13       2.9605      2.00000
     14       3.1889      2.00000
     15       3.3201      2.00000
     16       3.5103      2.00000
     17       3.5611      2.00000
     18       3.5984      2.00000
     19       3.6000      2.00000
     20       3.6011      2.00000
     21       6.4665     -0.00000
     22       6.5061     -0.00000
     23       6.5638     -0.00000
     24       6.6463     -0.00000
     25       7.1042     -0.00000
     26       7.1307     -0.00000
     27       7.4662     -0.00000
     28       7.5296     -0.00000
     29       7.9282     -0.00000
     30       7.9538     -0.00000
     31       7.9744     -0.00000
     32       8.0118     -0.00000
     33       8.5095     -0.00000
     34       8.7013     -0.00000
     35       8.8138     -0.00000
     36       8.9415     -0.00000
     37       9.2626     -0.00000
     38       9.3971     -0.00000
     39       9.4302     -0.00000
     40       9.5419     -0.00000
     41      10.2262      0.00000
     42      10.3458      0.00000
     43      10.3999      0.00000
     44      10.5644      0.00000

 k-point    58 :       0.1429    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.5036      2.00000
      2       1.6238      2.00000
      3       1.7198      2.00000
      4       1.8452      2.00000
      5       2.2495      2.00000
      6       2.3667      2.00000
      7       2.4636      2.00000
      8       2.5853      2.00000
      9       2.8867      2.00000
     10       2.8949      2.00000
     11       3.0054      2.00000
     12       3.1348      2.00000
     13       3.1375      2.00000
     14       3.2348      2.00000
     15       3.3710      2.00000
     16       3.4305      2.00000
     17       3.5622      2.00000
     18       3.6081      2.00000
     19       3.6111      2.00000
     20       3.6317      2.00000
     21       6.2563     -0.00000
     22       6.2644     -0.00000
     23       6.3867     -0.00000
     24       6.4095     -0.00000
     25       7.1280     -0.00000
     26       7.1650     -0.00000
     27       7.4402     -0.00000
     28       7.4848     -0.00000
     29       7.9509     -0.00000
     30       7.9643     -0.00000
     31       8.0222     -0.00000
     32       8.0777     -0.00000
     33       8.6263     -0.00000
     34       8.6695     -0.00000
     35       8.8333     -0.00000
     36       9.0642     -0.00000
     37       9.2944     -0.00000
     38       9.3566     -0.00000
     39       9.5239     -0.00000
     40       9.6082     -0.00000
     41      10.2275      0.00000
     42      10.3378      0.00000
     43      10.4990      0.00000
     44      10.6714      0.00000

 k-point    59 :       0.2857    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.5626      2.00000
      2       1.6831      2.00000
      3       1.7796      2.00000
      4       1.9046      2.00000
      5       2.0048      2.00000
      6       2.1242      2.00000
      7       2.2225      2.00000
      8       2.3474      2.00000
      9       2.9612      2.00000
     10       3.1438      2.00000
     11       3.2446      2.00000
     12       3.2583      2.00000
     13       3.3571      2.00000
     14       3.3969      2.00000
     15       3.4818      2.00000
     16       3.5014      2.00000
     17       3.5599      2.00000
     18       3.6552      2.00000
     19       3.6603      2.00000
     20       3.7036      2.00000
     21       5.7998     -0.00000
     22       5.8612     -0.00000
     23       5.9232     -0.00000
     24       5.9643     -0.00000
     25       7.1976     -0.00000
     26       7.2102     -0.00000
     27       7.4130     -0.00000
     28       7.4880     -0.00000
     29       7.8991     -0.00000
     30       7.9334     -0.00000
     31       8.0099     -0.00000
     32       8.1811     -0.00000
     33       8.7179     -0.00000
     34       8.7448     -0.00000
     35       8.9537     -0.00000
     36       9.1733     -0.00000
     37       9.3482     -0.00000
     38       9.3695     -0.00000
     39       9.6015     -0.00000
     40       9.6584     -0.00000
     41      10.3127      0.00000
     42      10.4417      0.00000
     43      10.6298      0.00000
     44      10.8298      0.00000

 k-point    60 :       0.4286    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.6633      2.00000
      2       1.7839      2.00000
      3       1.8090      2.00000
      4       1.8791      2.00000
      5       1.9332      2.00000
      6       2.0080      2.00000
      7       2.0292      2.00000
      8       2.1552      2.00000
      9       3.0457      2.00000
     10       3.1533      2.00000
     11       3.2455      2.00000
     12       3.2991      2.00000
     13       3.4535      2.00000
     14       3.4916      2.00000
     15       3.5426      2.00000
     16       3.6157      2.00000
     17       3.7198      2.00000
     18       3.7979      2.00003
     19       3.8260      2.00006
     20       3.8335      2.00007
     21       5.4749     -0.00000
     22       5.5239     -0.00000
     23       5.5424     -0.00000
     24       5.5781     -0.00000
     25       7.2248     -0.00000
     26       7.2539     -0.00000
     27       7.4049     -0.00000
     28       7.5391     -0.00000
     29       7.8772     -0.00000
     30       7.9316     -0.00000
     31       7.9617     -0.00000
     32       8.1118     -0.00000
     33       8.6617     -0.00000
     34       8.9332     -0.00000
     35       9.1071     -0.00000
     36       9.1505     -0.00000
     37       9.4005     -0.00000
     38       9.4499     -0.00000
     39       9.5417     -0.00000
     40       9.6058     -0.00000
     41      10.4075      0.00000
     42      10.5734      0.00000
     43      10.7264      0.00000
     44      10.9106      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
  1.204   5.375  -0.004   0.012   0.004
  5.375  22.973  -0.014   0.046   0.015
 -0.004  -0.014  -0.240  -0.001   0.002
  0.012   0.046  -0.001  -0.249  -0.000
  0.004   0.015   0.002  -0.000  -0.241
 total augmentation occupancy for first ion, spin component:           1
  2.387  -0.037   0.037  -0.112  -0.038
 -0.037   0.001  -0.002   0.003   0.002
  0.037  -0.002   0.222  -0.007   0.011
 -0.112   0.003  -0.007   0.139   0.002
 -0.038   0.002   0.011   0.002   0.210


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


    CHARGE:  cpu time    0.1648: real time    0.1648
    FORLOC:  cpu time    0.0096: real time    0.0096
    FORNL :  cpu time   12.4686: real time   12.4697
    STRESS:  cpu time    4.7113: real time    4.7117
    FORCOR:  cpu time    0.0292: real time    0.0292
    FORHAR:  cpu time    0.0214: real time    0.0214
    MIXING:  cpu time    0.0053: real time    0.0053
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    14.68123    14.68123    14.68123
  Ewald    -143.62018  -148.60064  -130.65622     0.00000     0.00000    -0.00000
  Hartree     1.18658     0.69628     1.06399    -0.00000    -0.00000     0.00000
  E(xc)    -108.58738  -109.01138  -107.82846     0.00000     0.00000    -0.00000
  Local       7.58891     2.30888    11.59881     0.00000     0.00000    -0.00000
  n-local   130.43992   131.05608   127.98694     0.01912     0.07416    -0.21330
  augment     7.40699     7.55167     7.07806    -0.00000    -0.00000     0.00000
  Kinetic   215.90058   225.87372   200.84415     0.07001    -1.12625    -0.90445
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     124.99665   124.55584   124.76849     0.00000     0.00000     0.00000
  in kB     701.45578   698.98206   700.17541     0.00000     0.00000     0.00000
  external pressure =        0.20 kB  Pullay stress =      700.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      650.00
  volume of cell :      285.50
      direct lattice vectors                 reciprocal lattice vectors
     6.881799927  0.000000000  0.000000000     0.145310821  0.000000000  0.000000000
     0.000000000  8.172714222  0.000000000     0.000000000  0.122358371  0.000000000
     0.000000000  0.000000000  5.076218436     0.000000000  0.000000000  0.196997039

  length of vectors
     6.881799927  8.172714222  5.076218436     0.145310821  0.122358371  0.196997039


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.198E-01 0.788E-01 -.243E+00   -.454E+00 0.373E+00 -.122E+01   0.462E+00 -.443E+00 0.142E+01   0.384E-07 -.114E-07 -.335E-07
   0.198E-01 -.788E-01 -.243E+00   0.454E+00 -.373E+00 -.122E+01   -.462E+00 0.443E+00 0.142E+01   -.384E-07 0.113E-07 -.335E-07
   -.198E-01 -.788E-01 -.243E+00   -.454E+00 -.373E+00 -.122E+01   0.462E+00 0.443E+00 0.142E+01   0.384E-07 0.114E-07 -.335E-07
   0.198E-01 0.788E-01 -.243E+00   0.454E+00 0.373E+00 -.122E+01   -.462E+00 -.443E+00 0.142E+01   -.384E-07 -.113E-07 -.335E-07
   -.198E-01 0.788E-01 -.243E+00   -.454E+00 0.373E+00 -.122E+01   0.462E+00 -.443E+00 0.142E+01   0.384E-07 -.113E-07 -.335E-07
   0.198E-01 -.788E-01 -.243E+00   0.454E+00 -.373E+00 -.122E+01   -.462E+00 0.443E+00 0.142E+01   -.384E-07 0.114E-07 -.335E-07
   -.198E-01 -.788E-01 -.243E+00   -.454E+00 -.373E+00 -.122E+01   0.462E+00 0.443E+00 0.142E+01   0.384E-07 0.113E-07 -.335E-07
   0.198E-01 0.788E-01 -.243E+00   0.454E+00 0.373E+00 -.122E+01   -.462E+00 -.443E+00 0.142E+01   -.384E-07 -.114E-07 -.335E-07
   -.194E-01 -.139E-01 0.128E+00   -.481E-01 -.249E+00 0.758E+00   0.690E-01 0.255E+00 -.867E+00   -.189E-07 0.227E-07 0.501E-07
   0.194E-01 0.139E-01 0.128E+00   0.481E-01 0.249E+00 0.758E+00   -.690E-01 -.255E+00 -.867E+00   0.189E-07 -.228E-07 0.501E-07
   -.194E-01 0.139E-01 0.128E+00   -.481E-01 0.249E+00 0.758E+00   0.690E-01 -.255E+00 -.867E+00   -.189E-07 -.227E-07 0.501E-07
   0.194E-01 -.139E-01 0.128E+00   0.481E-01 -.249E+00 0.758E+00   -.690E-01 0.255E+00 -.867E+00   0.189E-07 0.228E-07 0.501E-07
   -.194E-01 -.139E-01 0.128E+00   -.481E-01 -.249E+00 0.758E+00   0.690E-01 0.255E+00 -.867E+00   -.189E-07 0.228E-07 0.501E-07
   0.194E-01 0.139E-01 0.128E+00   0.481E-01 0.249E+00 0.758E+00   -.690E-01 -.255E+00 -.867E+00   0.189E-07 -.227E-07 0.501E-07
   -.194E-01 0.139E-01 0.128E+00   -.481E-01 0.249E+00 0.758E+00   0.690E-01 -.255E+00 -.867E+00   -.189E-07 -.228E-07 0.501E-07
   0.194E-01 -.139E-01 0.128E+00   0.481E-01 -.249E+00 0.758E+00   -.690E-01 0.255E+00 -.867E+00   0.189E-07 0.227E-07 0.501E-07
   -.270E+00 -.173E+00 0.950E-02   -.661E+00 -.315E-01 0.825E-01   0.912E+00 0.204E+00 -.881E-01   0.318E-07 -.759E-07 0.204E-08
   0.270E+00 0.173E+00 0.950E-02   0.661E+00 0.315E-01 0.825E-01   -.912E+00 -.204E+00 -.881E-01   -.318E-07 0.758E-07 0.204E-08
   -.270E+00 0.173E+00 0.949E-02   -.661E+00 0.315E-01 0.825E-01   0.912E+00 -.204E+00 -.881E-01   0.318E-07 0.759E-07 0.204E-08
   0.270E+00 -.173E+00 0.950E-02   0.661E+00 -.315E-01 0.825E-01   -.912E+00 0.204E+00 -.881E-01   -.318E-07 -.759E-07 0.204E-08
   -.270E+00 -.173E+00 0.949E-02   -.661E+00 -.315E-01 0.825E-01   0.912E+00 0.204E+00 -.881E-01   0.318E-07 -.759E-07 0.204E-08
   0.270E+00 0.173E+00 0.949E-02   0.661E+00 0.315E-01 0.825E-01   -.912E+00 -.204E+00 -.881E-01   -.318E-07 0.759E-07 0.204E-08
   -.270E+00 0.173E+00 0.949E-02   -.661E+00 0.315E-01 0.825E-01   0.912E+00 -.204E+00 -.881E-01   0.318E-07 0.758E-07 0.204E-08
   0.270E+00 -.173E+00 0.949E-02   0.661E+00 -.315E-01 0.825E-01   -.912E+00 0.204E+00 -.881E-01   -.318E-07 -.759E-07 0.204E-08
   -.517E-01 -.608E-01 0.148E-01   -.218E+00 0.668E-01 0.562E-01   0.251E+00 -.859E-02 -.546E-01   0.728E-09 -.497E-07 0.257E-08
   0.517E-01 0.608E-01 0.148E-01   0.218E+00 -.668E-01 0.562E-01   -.251E+00 0.859E-02 -.546E-01   -.729E-09 0.497E-07 0.257E-08
   -.517E-01 0.608E-01 0.148E-01   -.218E+00 -.668E-01 0.562E-01   0.251E+00 0.859E-02 -.546E-01   0.737E-09 0.497E-07 0.257E-08
   0.517E-01 -.608E-01 0.148E-01   0.218E+00 0.668E-01 0.562E-01   -.251E+00 -.859E-02 -.546E-01   -.736E-09 -.497E-07 0.257E-08
   -.517E-01 -.608E-01 0.148E-01   -.218E+00 0.668E-01 0.562E-01   0.251E+00 -.859E-02 -.546E-01   0.728E-09 -.497E-07 0.257E-08
   0.517E-01 0.608E-01 0.148E-01   0.218E+00 -.668E-01 0.562E-01   -.251E+00 0.859E-02 -.546E-01   -.729E-09 0.497E-07 0.257E-08
   -.517E-01 0.608E-01 0.148E-01   -.218E+00 -.668E-01 0.562E-01   0.251E+00 0.859E-02 -.546E-01   0.737E-09 0.497E-07 0.257E-08
   0.517E-01 -.608E-01 0.148E-01   0.218E+00 0.668E-01 0.562E-01   -.251E+00 -.859E-02 -.546E-01   -.736E-09 -.497E-07 0.257E-08
   0.308E-01 0.183E+00 0.101E+00   0.228E+00 -.167E+00 0.327E+00   -.240E+00 -.278E-01 -.426E+00   -.381E-08 0.507E-07 -.194E-07
   -.308E-01 -.183E+00 0.101E+00   -.228E+00 0.167E+00 0.327E+00   0.240E+00 0.278E-01 -.426E+00   0.381E-08 -.507E-07 -.194E-07
   0.308E-01 -.183E+00 0.101E+00   0.228E+00 0.167E+00 0.327E+00   -.240E+00 0.278E-01 -.426E+00   -.380E-08 -.507E-07 -.194E-07
   -.308E-01 0.183E+00 0.101E+00   -.228E+00 -.167E+00 0.327E+00   0.240E+00 -.278E-01 -.426E+00   0.380E-08 0.508E-07 -.194E-07
   0.308E-01 0.183E+00 0.101E+00   0.228E+00 -.167E+00 0.327E+00   -.240E+00 -.278E-01 -.426E+00   -.381E-08 0.508E-07 -.194E-07
   -.308E-01 -.183E+00 0.101E+00   -.228E+00 0.167E+00 0.327E+00   0.240E+00 0.278E-01 -.426E+00   0.381E-08 -.507E-07 -.194E-07
   0.308E-01 -.183E+00 0.101E+00   0.228E+00 0.167E+00 0.327E+00   -.240E+00 0.278E-01 -.426E+00   -.380E-08 -.507E-07 -.194E-07
   -.308E-01 0.183E+00 0.101E+00   -.228E+00 -.167E+00 0.327E+00   0.240E+00 -.278E-01 -.426E+00   0.380E-08 0.507E-07 -.194E-07
 -----------------------------------------------------------------------------------------------
   -.288E-04 0.240E-04 0.845E-01   -.172E-14 -.136E-14 0.427E-14   0.000E+00 -.833E-16 -.857E-01   0.384E-13 -.183E-13 0.146E-07
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.64174      0.94991      0.00284        -0.011850      0.008745     -0.042001
      6.24006      7.22281      0.00284         0.011850     -0.008745     -0.042001
      4.08264      3.13645      0.00284        -0.011850     -0.008745     -0.042001
      2.79916      5.03626      0.00284         0.011850      0.008745     -0.042001
      0.64174      5.03626      2.54095        -0.011850      0.008745     -0.042001
      6.24006      3.13645      2.54095         0.011850     -0.008745     -0.042001
      4.08264      7.22281      2.54095        -0.011850     -0.008745     -0.042001
      2.79916      0.94991      2.54095         0.011850      0.008745     -0.042001
      5.93982      7.38115      1.59045         0.001443     -0.008294      0.019492
      0.94198      0.79156      1.59045        -0.001443      0.008294      0.019492
      2.49891      4.87792      1.59045         0.001443      0.008294      0.019492
      4.38288      3.29480      1.59045        -0.001443     -0.008294      0.019492
      5.93982      3.29480      4.12856         0.001443     -0.008294      0.019492
      0.94198      4.87792      4.12856        -0.001443      0.008294      0.019492
      2.49891      0.79156      4.12856         0.001443      0.008294      0.019492
      4.38288      7.38115      4.12856        -0.001443     -0.008294      0.019492
      6.66164      0.95615      3.01565        -0.018936     -0.000677      0.003963
      0.22016      7.21657      3.01565         0.018936      0.000677      0.003963
      3.22074      3.13021      3.01565        -0.018936      0.000677      0.003963
      3.66106      5.04251      3.01565         0.018936     -0.000677      0.003963
      6.66164      5.04251      0.47754        -0.018936     -0.000677      0.003963
      0.22016      3.13021      0.47754         0.018936      0.000677      0.003963
      3.22074      7.21657      0.47754        -0.018936      0.000677      0.003963
      3.66106      0.95615      0.47754         0.018936     -0.000677      0.003963
      2.41741      2.19102      0.89336        -0.018530     -0.002608      0.016390
      4.46439      5.98169      0.89336         0.018530      0.002608      0.016390
      5.85831      1.89534      0.89336        -0.018530      0.002608      0.016390
      1.02349      6.27738      0.89336         0.018530     -0.002608      0.016390
      2.41741      6.27738      3.43147        -0.018530     -0.002608      0.016390
      4.46439      1.89534      3.43147         0.018530      0.002608      0.016390
      5.85831      5.98169      3.43147        -0.018530      0.002608      0.016390
      1.02349      2.19102      3.43147         0.018530     -0.002608      0.016390
      1.99635      7.45184      1.91293         0.019103     -0.011809      0.002156
      4.88545      0.72087      1.91293        -0.019103      0.011809      0.002156
      5.43725      4.80723      1.91293         0.019103      0.011809      0.002156
      1.44455      3.36548      1.91293        -0.019103     -0.011809      0.002156
      1.99635      3.36548      4.45104         0.019103     -0.011809      0.002156
      4.88545      4.80723      4.45104        -0.019103      0.011809      0.002156
      5.43725      0.72087      4.45104         0.019103      0.011809      0.002156
      1.44455      7.45184      4.45104        -0.019103     -0.011809      0.002156
 -----------------------------------------------------------------------------------
    total drift:                               -0.000029      0.000024     -0.001201


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -16.82186583 eV

  energy  without entropy=      -16.83199710  energy(sigma->0) =      -16.82524292
  enthalpy is  TOTEN    =       107.91536976 eV   P V=      124.73723559

 d Force =-0.2625497E-05[-0.263E-05,-0.262E-05]  d Energy = 0.5393906E-07-0.268E-05
 d Force =-0.9814681E-04[-0.981E-04,-0.981E-04]  d Ewald  =-0.1008227E-01 0.998E-02


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


    POTLOK:  cpu time    0.0282: real time    0.0282


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




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


    WAVPRE:  cpu time    0.0070: real time    0.0070
 FEWALD executed in parallel
    FEWALD:  cpu time    0.0016: real time    0.0027
    GENKIN:  cpu time    0.0240: real time    0.0240
    ORTHCH:  cpu time    0.5446: real time    0.5446
     LOOP+:  cpu time   39.5742: real time   39.5827


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


    POTLOK:  cpu time    0.0220: real time    0.0220
    SETDIJ:  cpu time    0.0053: real time    0.0064
     EDDAV:  cpu time    4.7945: real time    4.7950
       DOS:  cpu time    0.0069: real time    0.0069
    CHARGE:  cpu time    0.1894: real time    0.1894
    MIXING:  cpu time    0.0029: real time    0.0029
    --------------------------------------------
      LOOP:  cpu time    5.0230: real time    5.0246

 eigenvalue-minimisations  :  5384
 total energy-change (2. order) :-0.3797256E-01  (-0.7778299E-03)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9508480 magnetization 

  free energy =  -0.168598383928E+02  energy without entropy=  -0.168700252717E+02


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




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


    POTLOK:  cpu time    0.0203: real time    0.0203
    SETDIJ:  cpu time    0.0060: real time    0.0060
     EDDAV:  cpu time    5.4469: real time    5.4482
       DOS:  cpu time    0.0070: real time    0.0070
    CHARGE:  cpu time    0.2133: real time    0.2133
    MIXING:  cpu time    0.0034: real time    0.0034
    --------------------------------------------
      LOOP:  cpu time    5.6977: real time    5.6990

 eigenvalue-minimisations  :  6632
 total energy-change (2. order) : 0.3201668E-04  (-0.1940479E-04)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9509469 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6964
  1.6964

  free energy =  -0.168598063761E+02  energy without entropy=  -0.168699741279E+02


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




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


    POTLOK:  cpu time    0.0208: real time    0.0218
    SETDIJ:  cpu time    0.0058: real time    0.0069
     EDDAV:  cpu time    5.6986: real time    5.6999
       DOS:  cpu time    0.0079: real time    0.0079
    CHARGE:  cpu time    0.1716: real time    0.1717
    MIXING:  cpu time    0.0043: real time    0.0043
    --------------------------------------------
      LOOP:  cpu time    5.9101: real time    5.9139

 eigenvalue-minimisations  :  6800
 total energy-change (2. order) : 0.6970326E-05  (-0.2430376E-05)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9509668 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7434
  1.3367  2.1501

  free energy =  -0.168597994058E+02  energy without entropy=  -0.168699544193E+02


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




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


    POTLOK:  cpu time    0.0216: real time    0.0216
    SETDIJ:  cpu time    0.0055: real time    0.0055
     EDDAV:  cpu time    4.2827: real time    4.2831
       DOS:  cpu time    0.0073: real time    0.0073
    CHARGE:  cpu time    0.1711: real time    0.1711
    MIXING:  cpu time    0.0039: real time    0.0039
    --------------------------------------------
      LOOP:  cpu time    4.4932: real time    4.4937

 eigenvalue-minimisations  :  4612
 total energy-change (2. order) :-0.7254899E-06  (-0.2946331E-06)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9509691 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8079
  1.0719  1.6652  2.6867

  free energy =  -0.168598001313E+02  energy without entropy=  -0.168699537077E+02


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




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


    POTLOK:  cpu time    0.0210: real time    0.0210
    SETDIJ:  cpu time    0.0060: real time    0.0060
     EDDAV:  cpu time    3.4833: real time    3.4837
       DOS:  cpu time    0.0071: real time    0.0071
    CHARGE:  cpu time    0.1706: real time    0.1706
    MIXING:  cpu time    0.0046: real time    0.0046
    --------------------------------------------
      LOOP:  cpu time    3.6937: real time    3.6941

 eigenvalue-minimisations  :  3092
 total energy-change (2. order) :-0.1474712E-06  (-0.7594977E-08)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9509697 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7565
  2.7245  1.0260  1.4284  1.8472

  free energy =  -0.168598002787E+02  energy without entropy=  -0.168699539260E+02


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




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


    POTLOK:  cpu time    0.0215: real time    0.0215
    SETDIJ:  cpu time    0.0056: real time    0.0066
     EDDAV:  cpu time    3.4269: real time    3.4272
       DOS:  cpu time    0.0078: real time    0.0078
    --------------------------------------------
      LOOP:  cpu time    3.4642: real time    3.4656

 eigenvalue-minimisations  :  2988
 total energy-change (2. order) :-0.5697075E-08  (-0.1306341E-08)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9509697 magnetization 

  free energy =  -0.168598002844E+02  energy without entropy=  -0.168699540590E+02


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




 average (electrostatic) potential at core
  the test charge radii are     0.9748
  (the norm of the test charge is              1.0000)
       1 -25.9656       2 -25.9656       3 -25.9656       4 -25.9656       5 -25.9656
       6 -25.9656       7 -25.9656       8 -25.9656       9 -25.8982      10 -25.8982
      11 -25.8982      12 -25.8982      13 -25.8982      14 -25.8982      15 -25.8982
      16 -25.8982      17 -25.9210      18 -25.9210      19 -25.9210      20 -25.9210
      21 -25.9210      22 -25.9210      23 -25.9210      24 -25.9210      25 -25.8452
      26 -25.8452      27 -25.8452      28 -25.8452      29 -25.8452      30 -25.8452
      31 -25.8452      32 -25.8452      33 -26.0213      34 -26.0213      35 -26.0213
      36 -26.0213      37 -26.0213      38 -26.0213      39 -26.0213      40 -26.0213
 
 
 
 E-fermi :   4.4648     XC(G=0):  -9.5560     alpha+bet :-20.5710


 k-point     1 :       0.0000    0.0833    0.0500
  band No.  band energies     occupation 
      1       0.9633      2.00000
      2       1.5066      2.00000
      3       1.7428      2.00000
      4       1.9995      2.00000
      5       2.0422      2.00000
      6       2.5147      2.00000
      7       2.6221      2.00000
      8       2.7710      2.00000
      9       2.8685      2.00000
     10       2.9218      2.00000
     11       3.2102      2.00000
     12       3.2788      2.00000
     13       3.3968      2.00000
     14       3.4294      2.00000
     15       3.5112      2.00000
     16       3.6206      2.00000
     17       3.8406      2.00009
     18       4.1843      2.06337
     19       4.2124      2.07051
     20       4.3893      1.59156
     21       5.5366     -0.00000
     22       5.7400     -0.00000
     23       5.9294     -0.00000
     24       6.0895     -0.00000
     25       6.2098     -0.00000
     26       6.2991     -0.00000
     27       6.5563     -0.00000
     28       7.1293     -0.00000
     29       7.1363     -0.00000
     30       7.2464     -0.00000
     31       7.3742     -0.00000
     32       7.4548     -0.00000
     33       8.0745     -0.00000
     34       8.1629     -0.00000
     35       8.8166     -0.00000
     36       8.9620     -0.00000
     37       9.2242     -0.00000
     38       9.4511     -0.00000
     39       9.8211     -0.00000
     40       9.8560     -0.00000
     41      10.1087      0.00000
     42      10.3058      0.00000
     43      10.5523      0.00000
     44      10.8219      0.00000

 k-point     2 :       0.1429    0.0833    0.0500
  band No.  band energies     occupation 
      1       0.9817      2.00000
      2       1.5268      2.00000
      3       1.7126      2.00000
      4       1.7636      2.00000
      5       2.2752      2.00000
      6       2.3931      2.00000
      7       2.5262      2.00000
      8       2.8692      2.00000
      9       2.9629      2.00000
     10       3.1474      2.00000
     11       3.2381      2.00000
     12       3.2920      2.00000
     13       3.3732      2.00000
     14       3.4324      2.00000
     15       3.5408      2.00000
     16       3.6245      2.00000
     17       3.7774      2.00001
     18       4.0596      2.01468
     19       4.2316      2.06977
     20       4.4351      1.24850
     21       5.4254     -0.00000
     22       5.5920     -0.00000
     23       5.8890     -0.00000
     24       5.9931     -0.00000
     25       6.1522     -0.00000
     26       6.5285     -0.00000
     27       6.6302     -0.00000
     28       6.8394     -0.00000
     29       7.1135     -0.00000
     30       7.2357     -0.00000
     31       7.3052     -0.00000
     32       7.3948     -0.00000
     33       8.3490     -0.00000
     34       8.3987     -0.00000
     35       8.8331     -0.00000
     36       8.8891     -0.00000
     37       9.2479     -0.00000
     38       9.4287     -0.00000
     39       9.7678     -0.00000
     40       9.9384      0.00000
     41      10.0735      0.00000
     42      10.1788      0.00000
     43      10.8517      0.00000
     44      10.9318      0.00000

 k-point     3 :       0.2857    0.0833    0.0500
  band No.  band energies     occupation 
      1       1.0378      2.00000
      2       1.4663      2.00000
      3       1.5878      2.00000
      4       1.8263      2.00000
      5       2.0342      2.00000
      6       2.2823      2.00000
      7       2.8263      2.00000
      8       2.9667      2.00000
      9       3.2382      2.00000
     10       3.2687      2.00000
     11       3.3177      2.00000
     12       3.3337      2.00000
     13       3.4302      2.00000
     14       3.5245      2.00000
     15       3.5725      2.00000
     16       3.6236      2.00000
     17       3.7266      2.00000
     18       3.8446      2.00011
     19       4.1583      2.05236
     20       4.3413      1.85543
     21       5.3309     -0.00000
     22       5.4312     -0.00000
     23       5.7761     -0.00000
     24       5.8495     -0.00000
     25       5.8882     -0.00000
     26       6.2472     -0.00000
     27       6.7774     -0.00000
     28       7.0301     -0.00000
     29       7.1128     -0.00000
     30       7.2161     -0.00000
     31       7.2645     -0.00000
     32       7.5554     -0.00000
     33       8.4928     -0.00000
     34       8.5133     -0.00000
     35       8.7664     -0.00000
     36       8.9035     -0.00000
     37       9.2115     -0.00000
     38       9.3303     -0.00000
     39       9.8072     -0.00000
     40       9.8828     -0.00000
     41      10.1716      0.00000
     42      10.3696      0.00000
     43      11.0101      0.00000
     44      11.1329      0.00000

 k-point     4 :       0.4286    0.0833    0.0500
  band No.  band energies     occupation 
      1       1.1343      2.00000
      2       1.2753      2.00000
      3       1.6910      2.00000
      4       1.8380      2.00000
      5       1.9343      2.00000
      6       2.0846      2.00000
      7       3.0529      2.00000
      8       3.1578      2.00000
      9       3.3031      2.00000
     10       3.3928      2.00000
     11       3.4293      2.00000
     12       3.4441      2.00000
     13       3.5039      2.00000
     14       3.5118      2.00000
     15       3.6357      2.00000
     16       3.6526      2.00000
     17       3.7161      2.00000
     18       3.7713      2.00001
     19       3.9153      2.00071
     20       4.1109      2.03128
     21       5.3553     -0.00000
     22       5.4773     -0.00000
     23       5.6435     -0.00000
     24       5.6543     -0.00000
     25       5.7656     -0.00000
     26       5.7847     -0.00000
     27       6.9727     -0.00000
     28       7.1203     -0.00000
     29       7.1565     -0.00000
     30       7.1589     -0.00000
     31       7.6235     -0.00000
     32       7.8724     -0.00000
     33       8.1433     -0.00000
     34       8.2290     -0.00000
     35       8.8931     -0.00000
     36       8.9538     -0.00000
     37       9.1099     -0.00000
     38       9.1939     -0.00000
     39       9.7998     -0.00000
     40       9.8734     -0.00000
     41      10.4695      0.00000
     42      10.5651      0.00000
     43      11.2328      0.00000
     44      11.3342      0.00000

 k-point     5 :       0.0000    0.2500    0.0500
  band No.  band energies     occupation 
      1       0.9968      2.00000
      2       1.3168      2.00000
      3       2.0221      2.00000
      4       2.0312      2.00000
      5       2.0788      2.00000
      6       2.3381      2.00000
      7       2.4321      2.00000
      8       2.9404      2.00000
      9       3.0083      2.00000
     10       3.0533      2.00000
     11       3.1381      2.00000
     12       3.2075      2.00000
     13       3.4009      2.00000
     14       3.4946      2.00000
     15       3.5039      2.00000
     16       3.6913      2.00000
     17       3.7540      2.00001
     18       4.0118      2.00620
     19       4.0359      2.00975
     20       4.2314      2.06980
     21       5.6826     -0.00000
     22       5.8175     -0.00000
     23       5.9756     -0.00000
     24       6.2227     -0.00000
     25       6.3102     -0.00000
     26       6.4369     -0.00000
     27       6.5119     -0.00000
     28       6.7780     -0.00000
     29       7.2774     -0.00000
     30       7.3317     -0.00000
     31       7.4219     -0.00000
     32       7.6284     -0.00000
     33       8.0312     -0.00000
     34       8.1838     -0.00000
     35       8.8918     -0.00000
     36       9.0441     -0.00000
     37       9.0825     -0.00000
     38       9.2162     -0.00000
     39       9.5468     -0.00000
     40       9.8753     -0.00000
     41       9.9175     -0.00000
     42      10.3991      0.00000
     43      10.4874      0.00000
     44      10.9271      0.00000

 k-point     6 :       0.1429    0.2500    0.0500
  band No.  band energies     occupation 
      1       1.0153      2.00000
      2       1.3363      2.00000
      3       1.7476      2.00000
      4       2.0367      2.00000
      5       2.0906      2.00000
      6       2.4245      2.00000
      7       2.7304      2.00000
      8       2.8132      2.00000
      9       2.9731      2.00000
     10       3.0362      2.00000
     11       3.2240      2.00000
     12       3.3523      2.00000
     13       3.3964      2.00000
     14       3.5017      2.00000
     15       3.5257      2.00000
     16       3.6954      2.00000
     17       3.7063      2.00000
     18       3.8292      2.00007
     19       4.1116      2.03156
     20       4.2768      2.03540
     21       5.5622     -0.00000
     22       5.7456     -0.00000
     23       5.9393     -0.00000
     24       6.0698     -0.00000
     25       6.2326     -0.00000
     26       6.4985     -0.00000
     27       6.6408     -0.00000
     28       6.7164     -0.00000
     29       7.1691     -0.00000
     30       7.3180     -0.00000
     31       7.3387     -0.00000
     32       7.6048     -0.00000
     33       8.2778     -0.00000
     34       8.3631     -0.00000
     35       8.8950     -0.00000
     36       9.0035     -0.00000
     37       9.0270     -0.00000
     38       9.2276     -0.00000
     39       9.6247     -0.00000
     40       9.8224     -0.00000
     41       9.9430      0.00000
     42      10.4613      0.00000
     43      10.5087      0.00000
     44      11.0456      0.00000

 k-point     7 :       0.2857    0.2500    0.0500
  band No.  band energies     occupation 
      1       1.0717      2.00000
      2       1.3955      2.00000
      3       1.5014      2.00000
      4       1.8354      2.00000
      5       2.1133      2.00000
      6       2.5746      2.00000
      7       2.8473      2.00000
      8       2.9940      2.00000
      9       3.1217      2.00000
     10       3.1374      2.00000
     11       3.2714      2.00000
     12       3.3076      2.00000
     13       3.4722      2.00000
     14       3.5321      2.00000
     15       3.6111      2.00000
     16       3.6163      2.00000
     17       3.6746      2.00000
     18       3.7298      2.00000
     19       4.0501      2.01252
     20       4.2340      2.06923
     21       5.4035     -0.00000
     22       5.6674     -0.00000
     23       5.7743     -0.00000
     24       5.8282     -0.00000
     25       6.1110     -0.00000
     26       6.2028     -0.00000
     27       6.6232     -0.00000
     28       7.0681     -0.00000
     29       7.1173     -0.00000
     30       7.3615     -0.00000
     31       7.4998     -0.00000
     32       7.5471     -0.00000
     33       8.3665     -0.00000
     34       8.5234     -0.00000
     35       8.7972     -0.00000
     36       8.8865     -0.00000
     37       9.0453     -0.00000
     38       9.1677     -0.00000
     39       9.6355     -0.00000
     40       9.7984     -0.00000
     41      10.1589      0.00000
     42      10.5857      0.00000
     43      10.7150      0.00000
     44      11.2247      0.00000

 k-point     8 :       0.4286    0.2500    0.0500
  band No.  band energies     occupation 
      1       1.1686      2.00000
      2       1.3101      2.00000
      3       1.4965      2.00000
      4       1.6421      2.00000
      5       2.2226      2.00000
      6       2.3767      2.00000
      7       3.0895      2.00000
      8       3.1987      2.00000
      9       3.2121      2.00000
     10       3.3149      2.00000
     11       3.3788      2.00000
     12       3.4077      2.00000
     13       3.4334      2.00000
     14       3.4458      2.00000
     15       3.5491      2.00000
     16       3.6271      2.00000
     17       3.7469      2.00000
     18       3.7730      2.00001
     19       3.8486      2.00012
     20       4.0070      2.00564
     21       5.4195     -0.00000
     22       5.6130     -0.00000
     23       5.6149     -0.00000
     24       5.7923     -0.00000
     25       5.7924     -0.00000
     26       5.9733     -0.00000
     27       6.7893     -0.00000
     28       6.9557     -0.00000
     29       7.3365     -0.00000
     30       7.4407     -0.00000
     31       7.7273     -0.00000
     32       7.8132     -0.00000
     33       8.1612     -0.00000
     34       8.1932     -0.00000
     35       8.8406     -0.00000
     36       8.8955     -0.00000
     37       8.9752     -0.00000
     38       9.0580     -0.00000
     39       9.6089     -0.00000
     40       9.7749     -0.00000
     41      10.4454      0.00000
     42      10.6194      0.00000
     43      11.1563      0.00000
     44      11.3525      0.00000

 k-point     9 :       0.0000    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.0651      2.00000
      2       1.1706      2.00000
      3       2.0963      2.00000
      4       2.1521      2.00000
      5       2.1976      2.00000
      6       2.2469      2.00000
      7       2.3747      2.00000
      8       2.6961      2.00000
      9       3.0164      2.00000
     10       3.1096      2.00000
     11       3.3435      2.00000
     12       3.4318      2.00000
     13       3.4366      2.00000
     14       3.4730      2.00000
     15       3.6002      2.00000
     16       3.6009      2.00000
     17       3.7409      2.00000
     18       3.7809      2.00001
     19       3.8283      2.00007
     20       4.0192      2.00715
     21       5.9327     -0.00000
     22       5.9501     -0.00000
     23       6.0959     -0.00000
     24       6.1459     -0.00000
     25       6.2140     -0.00000
     26       6.4213     -0.00000
     27       6.6274     -0.00000
     28       6.9344     -0.00000
     29       6.9796     -0.00000
     30       7.2759     -0.00000
     31       7.6121     -0.00000
     32       7.8704     -0.00000
     33       8.1923     -0.00000
     34       8.3668     -0.00000
     35       8.5213     -0.00000
     36       9.0152     -0.00000
     37       9.0795     -0.00000
     38       9.1474     -0.00000
     39       9.3138     -0.00000
     40       9.5998     -0.00000
     41       9.9502      0.00000
     42      10.0630      0.00000
     43      10.7702      0.00000
     44      10.9509      0.00000

 k-point    10 :       0.1429    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.0838      2.00000
      2       1.1897      2.00000
      3       1.8187      2.00000
      4       1.9281      2.00000
      5       2.3643      2.00000
      6       2.4840      2.00000
      7       2.6047      2.00000
      8       2.7270      2.00000
      9       3.0358      2.00000
     10       3.1283      2.00000
     11       3.1427      2.00000
     12       3.4357      2.00000
     13       3.4848      2.00000
     14       3.4885      2.00000
     15       3.5018      2.00000
     16       3.6157      2.00000
     17       3.6870      2.00000
     18       3.8381      2.00009
     19       3.9131      2.00067
     20       4.0485      2.01219
     21       5.7607     -0.00000
     22       5.9330     -0.00000
     23       5.9647     -0.00000
     24       6.1204     -0.00000
     25       6.2497     -0.00000
     26       6.3665     -0.00000
     27       6.5612     -0.00000
     28       6.9076     -0.00000
     29       7.0036     -0.00000
     30       7.2220     -0.00000
     31       7.6353     -0.00000
     32       7.9998     -0.00000
     33       8.1822     -0.00000
     34       8.4925     -0.00000
     35       8.5731     -0.00000
     36       8.9918     -0.00000
     37       9.0249     -0.00000
     38       9.2496     -0.00000
     39       9.2731     -0.00000
     40       9.5606     -0.00000
     41      10.0133      0.00000
     42      10.1324      0.00000
     43      10.7884      0.00000
     44      10.9992      0.00000

 k-point    11 :       0.2857    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.1408      2.00000
      2       1.2477      2.00000
      3       1.5729      2.00000
      4       1.6833      2.00000
      5       2.4369      2.00000
      6       2.7674      2.00000
      7       2.9092      2.00000
      8       2.9342      2.00000
      9       2.9859      2.00000
     10       3.1101      2.00000
     11       3.1827      2.00000
     12       3.2706      2.00000
     13       3.3776      2.00000
     14       3.4612      2.00000
     15       3.5277      2.00000
     16       3.5990      2.00000
     17       3.7378      2.00000
     18       3.8907      2.00038
     19       3.9006      2.00049
     20       4.0776      2.01956
     21       5.5345     -0.00000
     22       5.6620     -0.00000
     23       5.8889     -0.00000
     24       6.0572     -0.00000
     25       6.0753     -0.00000
     26       6.3594     -0.00000
     27       6.4269     -0.00000
     28       6.7697     -0.00000
     29       7.2667     -0.00000
     30       7.3985     -0.00000
     31       7.7292     -0.00000
     32       8.0602     -0.00000
     33       8.1083     -0.00000
     34       8.4933     -0.00000
     35       8.5987     -0.00000
     36       8.8735     -0.00000
     37       8.9632     -0.00000
     38       9.2825     -0.00000
     39       9.2863     -0.00000
     40       9.5611     -0.00000
     41      10.2415      0.00000
     42      10.4215      0.00000
     43      10.7900      0.00000
     44      11.0413      0.00000

 k-point    12 :       0.4286    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.2386      2.00000
      2       1.3468      2.00000
      3       1.3810      2.00000
      4       1.4906      2.00000
      5       2.5523      2.00000
      6       2.7109      2.00000
      7       2.9019      2.00000
      8       3.0676      2.00000
      9       3.1566      2.00000
     10       3.2420      2.00000
     11       3.2725      2.00000
     12       3.3620      2.00000
     13       3.3882      2.00000
     14       3.4176      2.00000
     15       3.6034      2.00000
     16       3.6769      2.00000
     17       3.6769      2.00000
     18       3.7694      2.00001
     19       3.8277      2.00006
     20       3.8961      2.00044
     21       5.5106     -0.00000
     22       5.5729     -0.00000
     23       5.6908     -0.00000
     24       5.7649     -0.00000
     25       6.1332     -0.00000
     26       6.2806     -0.00000
     27       6.4852     -0.00000
     28       6.6346     -0.00000
     29       7.5731     -0.00000
     30       7.7134     -0.00000
     31       7.8095     -0.00000
     32       8.0146     -0.00000
     33       8.0392     -0.00000
     34       8.3283     -0.00000
     35       8.4364     -0.00000
     36       8.6334     -0.00000
     37       9.0316     -0.00000
     38       9.2584     -0.00000
     39       9.3169     -0.00000
     40       9.5371     -0.00000
     41      10.5365      0.00000
     42      10.7196      0.00000
     43      10.7839      0.00000
     44      10.9797      0.00000

 k-point    13 :       0.0000    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.0024      2.00000
      2       1.5538      2.00000
      3       1.7930      2.00000
      4       2.0402      2.00000
      5       2.0848      2.00000
      6       2.4874      2.00000
      7       2.5796      2.00000
      8       2.6656      2.00000
      9       2.8100      2.00000
     10       2.9054      2.00000
     11       3.0789      2.00000
     12       3.2808      2.00000
     13       3.3103      2.00000
     14       3.3358      2.00000
     15       3.4458      2.00000
     16       3.7598      2.00001
     17       3.8590      2.00016
     18       4.0053      2.00546
     19       4.0464      2.01175
     20       4.1713      2.05814
     21       5.7634     -0.00000
     22       5.9675     -0.00000
     23       6.1815     -0.00000
     24       6.4579     -0.00000
     25       6.4903     -0.00000
     26       6.5796     -0.00000
     27       6.5973     -0.00000
     28       6.7614     -0.00000
     29       7.1694     -0.00000
     30       7.2586     -0.00000
     31       7.3721     -0.00000
     32       7.4262     -0.00000
     33       8.1689     -0.00000
     34       8.4694     -0.00000
     35       8.9352     -0.00000
     36       9.0584     -0.00000
     37       9.0662     -0.00000
     38       9.5657     -0.00000
     39       9.8162     -0.00000
     40       9.8428     -0.00000
     41      10.0141      0.00000
     42      10.0277      0.00000
     43      10.4029      0.00000
     44      10.4560      0.00000

 k-point    14 :       0.1429    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.0209      2.00000
      2       1.5739      2.00000
      3       1.7541      2.00000
      4       1.8136      2.00000
      5       2.3182      2.00000
      6       2.4338      2.00000
      7       2.5198      2.00000
      8       2.5703      2.00000
      9       2.9508      2.00000
     10       3.0951      2.00000
     11       3.1464      2.00000
     12       3.1915      2.00000
     13       3.3005      2.00000
     14       3.3693      2.00000
     15       3.5867      2.00000
     16       3.6569      2.00000
     17       3.8717      2.00023
     18       3.9610      2.00213
     19       4.0853      2.02194
     20       4.1556      2.05113
     21       5.7087     -0.00000
     22       5.8129     -0.00000
     23       6.1148     -0.00000
     24       6.3486     -0.00000
     25       6.3885     -0.00000
     26       6.4828     -0.00000
     27       6.7068     -0.00000
     28       6.7802     -0.00000
     29       7.1639     -0.00000
     30       7.2567     -0.00000
     31       7.2626     -0.00000
     32       7.4498     -0.00000
     33       8.3293     -0.00000
     34       8.5487     -0.00000
     35       8.9237     -0.00000
     36       9.0221     -0.00000
     37       9.0775     -0.00000
     38       9.5895     -0.00000
     39       9.8340     -0.00000
     40       9.9043     -0.00000
     41       9.9050     -0.00000
     42      10.1130      0.00000
     43      10.6413      0.00000
     44      10.7136      0.00000

 k-point    15 :       0.2857    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.0773      2.00000
      2       1.5073      2.00000
      3       1.6346      2.00000
      4       1.8758      2.00000
      5       2.0789      2.00000
      6       2.3256      2.00000
      7       2.5810      2.00000
      8       2.8627      2.00000
      9       2.9717      2.00000
     10       3.1432      2.00000
     11       3.2879      2.00000
     12       3.3529      2.00000
     13       3.4466      2.00000
     14       3.4770      2.00000
     15       3.5336      2.00000
     16       3.7435      2.00000
     17       3.8081      2.00004
     18       3.9030      2.00052
     19       4.0065      2.00558
     20       4.1185      2.03439
     21       5.4650     -0.00000
     22       5.7679     -0.00000
     23       5.9908     -0.00000
     24       5.9915     -0.00000
     25       6.1334     -0.00000
     26       6.2967     -0.00000
     27       6.7189     -0.00000
     28       7.0428     -0.00000
     29       7.0492     -0.00000
     30       7.1672     -0.00000
     31       7.3070     -0.00000
     32       7.6939     -0.00000
     33       8.3652     -0.00000
     34       8.4408     -0.00000
     35       8.9579     -0.00000
     36       9.0570     -0.00000
     37       9.0911     -0.00000
     38       9.4924     -0.00000
     39       9.8949     -0.00000
     40      10.0936      0.00000
     41      10.1304      0.00000
     42      10.3263      0.00000
     43      10.9681      0.00000
     44      11.1192      0.00000

 k-point    16 :       0.4286    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.1742      2.00000
      2       1.3158      2.00000
      3       1.7375      2.00000
      4       1.8842      2.00000
      5       1.9819      2.00000
      6       2.1307      2.00000
      7       2.6766      2.00000
      8       2.8085      2.00000
      9       3.2108      2.00000
     10       3.3077      2.00000
     11       3.3491      2.00000
     12       3.5008      2.00000
     13       3.5577      2.00000
     14       3.6265      2.00000
     15       3.6387      2.00000
     16       3.6450      2.00000
     17       3.7994      2.00003
     18       3.8643      2.00018
     19       3.8741      2.00024
     20       3.9223      2.00085
     21       5.4380     -0.00000
     22       5.6554     -0.00000
     23       5.7362     -0.00000
     24       5.7999     -0.00000
     25       5.9893     -0.00000
     26       6.1871     -0.00000
     27       6.7494     -0.00000
     28       6.8806     -0.00000
     29       7.1477     -0.00000
     30       7.1953     -0.00000
     31       7.6162     -0.00000
     32       7.9555     -0.00000
     33       8.0393     -0.00000
     34       8.1976     -0.00000
     35       9.0885     -0.00000
     36       9.1506     -0.00000
     37       9.1902     -0.00000
     38       9.3580     -0.00000
     39       9.9012     -0.00000
     40      10.0827      0.00000
     41      10.3839      0.00000
     42      10.4828      0.00000
     43      11.2145      0.00000
     44      11.3224      0.00000

 k-point    17 :       0.0000    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.0365      2.00000
      2       1.3614      2.00000
      3       2.0724      2.00000
      4       2.0758      2.00000
      5       2.1219      2.00000
      6       2.3776      2.00000
      7       2.4760      2.00000
      8       2.5527      2.00000
      9       2.9084      2.00000
     10       3.0649      2.00000
     11       3.0746      2.00000
     12       3.1646      2.00000
     13       3.3582      2.00000
     14       3.5034      2.00000
     15       3.5111      2.00000
     16       3.6696      2.00000
     17       3.8471      2.00011
     18       3.8785      2.00027
     19       3.9366      2.00120
     20       4.0431      2.01109
     21       5.8467     -0.00000
     22       6.0134     -0.00000
     23       6.0695     -0.00000
     24       6.3276     -0.00000
     25       6.4999     -0.00000
     26       6.6115     -0.00000
     27       6.6709     -0.00000
     28       6.7901     -0.00000
     29       7.3876     -0.00000
     30       7.4028     -0.00000
     31       7.4767     -0.00000
     32       7.6279     -0.00000
     33       8.1957     -0.00000
     34       8.3111     -0.00000
     35       8.7500     -0.00000
     36       8.9320     -0.00000
     37       9.2139     -0.00000
     38       9.4185     -0.00000
     39       9.6298     -0.00000
     40       9.7249     -0.00000
     41       9.8309     -0.00000
     42      10.3422      0.00000
     43      10.3746      0.00000
     44      10.9224      0.00000

 k-point    18 :       0.1429    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.0551      2.00000
      2       1.3809      2.00000
      3       1.7895      2.00000
      4       2.0891      2.00000
      5       2.1350      2.00000
      6       2.4658      2.00000
      7       2.5633      2.00000
      8       2.7838      2.00000
      9       2.8475      2.00000
     10       2.9274      2.00000
     11       3.1018      2.00000
     12       3.2054      2.00000
     13       3.4006      2.00000
     14       3.4960      2.00000
     15       3.5903      2.00000
     16       3.6451      2.00000
     17       3.7952      2.00002
     18       3.8634      2.00018
     19       3.9735      2.00281
     20       4.0996      2.02689
     21       5.7443     -0.00000
     22       5.9611     -0.00000
     23       5.9789     -0.00000
     24       6.2246     -0.00000
     25       6.3160     -0.00000
     26       6.6032     -0.00000
     27       6.6457     -0.00000
     28       6.9043     -0.00000
     29       7.2568     -0.00000
     30       7.3867     -0.00000
     31       7.5040     -0.00000
     32       7.6181     -0.00000
     33       8.3666     -0.00000
     34       8.3740     -0.00000
     35       8.8417     -0.00000
     36       8.9105     -0.00000
     37       9.1917     -0.00000
     38       9.3992     -0.00000
     39       9.6213     -0.00000
     40       9.7382     -0.00000
     41       9.9091     -0.00000
     42      10.4152      0.00000
     43      10.5408      0.00000
     44      10.9515      0.00000

 k-point    19 :       0.2857    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.1117      2.00000
      2       1.4402      2.00000
      3       1.5429      2.00000
      4       1.8799      2.00000
      5       2.1647      2.00000
      6       2.6084      2.00000
      7       2.6299      2.00000
      8       2.8847      2.00000
      9       2.9845      2.00000
     10       3.0202      2.00000
     11       3.1602      2.00000
     12       3.1827      2.00000
     13       3.3654      2.00000
     14       3.6033      2.00000
     15       3.6193      2.00000
     16       3.6426      2.00000
     17       3.7921      2.00002
     18       3.9057      2.00056
     19       3.9465      2.00152
     20       4.1113      2.03142
     21       5.4880     -0.00000
     22       5.8322     -0.00000
     23       5.9179     -0.00000
     24       5.9698     -0.00000
     25       6.0310     -0.00000
     26       6.5253     -0.00000
     27       6.5446     -0.00000
     28       7.0243     -0.00000
     29       7.1687     -0.00000
     30       7.4136     -0.00000
     31       7.6196     -0.00000
     32       7.6839     -0.00000
     33       8.3364     -0.00000
     34       8.4554     -0.00000
     35       8.8649     -0.00000
     36       8.9122     -0.00000
     37       9.2640     -0.00000
     38       9.2955     -0.00000
     39       9.6450     -0.00000
     40       9.9926      0.00000
     41      10.1023      0.00000
     42      10.5418      0.00000
     43      10.7692      0.00000
     44      11.1220      0.00000

 k-point    20 :       0.4286    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.2091      2.00000
      2       1.3511      2.00000
      3       1.5412      2.00000
      4       1.6867      2.00000
      5       2.2716      2.00000
      6       2.4218      2.00000
      7       2.7204      2.00000
      8       2.8563      2.00000
      9       3.0709      2.00000
     10       3.1917      2.00000
     11       3.2815      2.00000
     12       3.3934      2.00000
     13       3.4502      2.00000
     14       3.5061      2.00000
     15       3.6845      2.00000
     16       3.7042      2.00000
     17       3.7938      2.00002
     18       3.8813      2.00029
     19       3.9269      2.00095
     20       3.9319      2.00108
     21       5.4107     -0.00000
     22       5.6823     -0.00000
     23       5.6917     -0.00000
     24       5.7709     -0.00000
     25       6.0548     -0.00000
     26       6.3776     -0.00000
     27       6.6058     -0.00000
     28       6.7866     -0.00000
     29       7.3058     -0.00000
     30       7.4603     -0.00000
     31       7.8094     -0.00000
     32       7.9065     -0.00000
     33       8.1700     -0.00000
     34       8.1812     -0.00000
     35       8.9649     -0.00000
     36       9.0307     -0.00000
     37       9.1777     -0.00000
     38       9.3296     -0.00000
     39       9.6129     -0.00000
     40      10.0562      0.00000
     41      10.3488      0.00000
     42      10.5349      0.00000
     43      11.1200      0.00000
     44      11.2309      0.00000

 k-point    21 :       0.0000    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.1059      2.00000
      2       1.2131      2.00000
      3       2.1381      2.00000
      4       2.1961      2.00000
      5       2.2397      2.00000
      6       2.2948      2.00000
      7       2.4279      2.00000
      8       2.6325      2.00000
      9       2.7535      2.00000
     10       2.7571      2.00000
     11       3.3256      2.00000
     12       3.4362      2.00000
     13       3.4676      2.00000
     14       3.5000      2.00000
     15       3.6386      2.00000
     16       3.6420      2.00000
     17       3.6815      2.00000
     18       3.7684      2.00001
     19       3.8081      2.00004
     20       3.8364      2.00008
     21       5.9389     -0.00000
     22       6.0727     -0.00000
     23       6.0933     -0.00000
     24       6.2172     -0.00000
     25       6.3580     -0.00000
     26       6.3692     -0.00000
     27       6.9687     -0.00000
     28       7.1323     -0.00000
     29       7.2461     -0.00000
     30       7.4001     -0.00000
     31       7.7329     -0.00000
     32       8.0499     -0.00000
     33       8.1083     -0.00000
     34       8.3790     -0.00000
     35       8.4355     -0.00000
     36       9.0147     -0.00000
     37       9.1236     -0.00000
     38       9.1942     -0.00000
     39       9.4044     -0.00000
     40       9.5628     -0.00000
     41       9.9311      0.00000
     42      10.0720      0.00000
     43      10.7486      0.00000
     44      10.9442      0.00000

 k-point    22 :       0.1429    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.1247      2.00000
      2       1.2322      2.00000
      3       1.8614      2.00000
      4       1.9717      2.00000
      5       2.4203      2.00000
      6       2.5267      2.00000
      7       2.6255      2.00000
      8       2.6753      2.00000
      9       2.7669      2.00000
     10       2.7936      2.00000
     11       3.1518      2.00000
     12       3.3060      2.00000
     13       3.3884      2.00000
     14       3.5134      2.00000
     15       3.6151      2.00000
     16       3.6976      2.00000
     17       3.7485      2.00001
     18       3.8207      2.00005
     19       3.8484      2.00012
     20       3.9628      2.00221
     21       5.8801     -0.00000
     22       5.9658     -0.00000
     23       6.0170     -0.00000
     24       6.1500     -0.00000
     25       6.1535     -0.00000
     26       6.3620     -0.00000
     27       6.9308     -0.00000
     28       7.1670     -0.00000
     29       7.1950     -0.00000
     30       7.4212     -0.00000
     31       7.7094     -0.00000
     32       8.0534     -0.00000
     33       8.1438     -0.00000
     34       8.5244     -0.00000
     35       8.5767     -0.00000
     36       8.9872     -0.00000
     37       9.0933     -0.00000
     38       9.1971     -0.00000
     39       9.4068     -0.00000
     40       9.5940     -0.00000
     41      10.0092      0.00000
     42      10.1837      0.00000
     43      10.7556      0.00000
     44      10.9690      0.00000

 k-point    23 :       0.2857    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.1819      2.00000
      2       1.2904      2.00000
      3       1.6153      2.00000
      4       1.7267      2.00000
      5       2.4904      2.00000
      6       2.7075      2.00000
      7       2.8150      2.00000
      8       2.8341      2.00000
      9       2.9383      2.00000
     10       2.9850      2.00000
     11       3.0509      2.00000
     12       3.1171      2.00000
     13       3.2128      2.00000
     14       3.3171      2.00000
     15       3.7454      2.00000
     16       3.7456      2.00000
     17       3.8314      2.00007
     18       3.8775      2.00027
     19       3.9452      2.00148
     20       4.0399      2.01048
     21       5.6236     -0.00000
     22       5.7967     -0.00000
     23       5.7984     -0.00000
     24       5.8755     -0.00000
     25       6.1431     -0.00000
     26       6.3316     -0.00000
     27       6.7595     -0.00000
     28       6.9363     -0.00000
     29       7.3883     -0.00000
     30       7.5828     -0.00000
     31       7.7724     -0.00000
     32       8.0951     -0.00000
     33       8.1093     -0.00000
     34       8.5328     -0.00000
     35       8.6881     -0.00000
     36       8.9597     -0.00000
     37       9.0288     -0.00000
     38       9.2216     -0.00000
     39       9.5093     -0.00000
     40       9.7717     -0.00000
     41      10.1987      0.00000
     42      10.4312      0.00000
     43      10.7414      0.00000
     44      11.0121      0.00000

 k-point    24 :       0.4286    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.2801      2.00000
      2       1.3897      2.00000
      3       1.4230      2.00000
      4       1.5339      2.00000
      5       2.6005      2.00000
      6       2.7482      2.00000
      7       2.8091      2.00000
      8       2.9133      2.00000
      9       2.9517      2.00000
     10       2.9574      2.00000
     11       3.0553      2.00000
     12       3.1368      2.00000
     13       3.4078      2.00000
     14       3.4519      2.00000
     15       3.7300      2.00000
     16       3.7558      2.00001
     17       3.8332      2.00008
     18       3.8786      2.00027
     19       3.9440      2.00144
     20       3.9567      2.00193
     21       5.4890     -0.00000
     22       5.6142     -0.00000
     23       5.6555     -0.00000
     24       5.6931     -0.00000
     25       6.2531     -0.00000
     26       6.4320     -0.00000
     27       6.5305     -0.00000
     28       6.6575     -0.00000
     29       7.5495     -0.00000
     30       7.7694     -0.00000
     31       7.7966     -0.00000
     32       8.0506     -0.00000
     33       8.1939     -0.00000
     34       8.4701     -0.00000
     35       8.6246     -0.00000
     36       8.8540     -0.00000
     37       9.0687     -0.00000
     38       9.2717     -0.00000
     39       9.5427     -0.00000
     40       9.8261     -0.00000
     41      10.4547      0.00000
     42      10.6492      0.00000
     43      10.7411      0.00000
     44      10.9505      0.00000

 k-point    25 :       0.0000    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.0814      2.00000
      2       1.6481      2.00000
      3       1.8930      2.00000
      4       2.1217      2.00000
      5       2.1433      2.00000
      6       2.1688      2.00000
      7       2.6447      2.00000
      8       2.7507      2.00000
      9       2.7908      2.00000
     10       2.8595      2.00000
     11       2.9748      2.00000
     12       3.0612      2.00000
     13       3.1472      2.00000
     14       3.1888      2.00000
     15       3.4138      2.00000
     16       3.6167      2.00000
     17       3.7454      2.00000
     18       3.8208      2.00005
     19       3.8904      2.00037
     20       4.2427      2.06625
     21       6.1000     -0.00000
     22       6.1900     -0.00000
     23       6.2720     -0.00000
     24       6.6152     -0.00000
     25       6.8963     -0.00000
     26       7.0075     -0.00000
     27       7.0223     -0.00000
     28       7.0781     -0.00000
     29       7.2723     -0.00000
     30       7.3069     -0.00000
     31       7.3809     -0.00000
     32       7.3867     -0.00000
     33       8.1656     -0.00000
     34       8.5940     -0.00000
     35       8.6127     -0.00000
     36       9.1324     -0.00000
     37       9.2553     -0.00000
     38       9.5820     -0.00000
     39       9.6633     -0.00000
     40       9.7370     -0.00000
     41       9.8504     -0.00000
     42      10.0594      0.00000
     43      10.2177      0.00000
     44      10.3415      0.00000

 k-point    26 :       0.1429    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.1001      2.00000
      2       1.6681      2.00000
      3       1.8373      2.00000
      4       1.9131      2.00000
      5       2.1635      2.00000
      6       2.4067      2.00000
      7       2.5126      2.00000
      8       2.6395      2.00000
      9       2.8109      2.00000
     10       2.8919      2.00000
     11       3.0294      2.00000
     12       3.0819      2.00000
     13       3.2240      2.00000
     14       3.4138      2.00000
     15       3.4616      2.00000
     16       3.4779      2.00000
     17       3.7214      2.00000
     18       3.9026      2.00052
     19       3.9211      2.00083
     20       4.2458      2.06475
     21       5.9744     -0.00000
     22       6.1295     -0.00000
     23       6.1311     -0.00000
     24       6.5184     -0.00000
     25       6.6642     -0.00000
     26       6.9292     -0.00000
     27       6.9758     -0.00000
     28       7.0952     -0.00000
     29       7.2073     -0.00000
     30       7.2735     -0.00000
     31       7.3513     -0.00000
     32       7.5597     -0.00000
     33       8.3128     -0.00000
     34       8.5540     -0.00000
     35       8.7511     -0.00000
     36       9.0486     -0.00000
     37       9.2404     -0.00000
     38       9.4750     -0.00000
     39       9.7650     -0.00000
     40       9.7979     -0.00000
     41       9.9890      0.00000
     42      10.2290      0.00000
     43      10.4198      0.00000
     44      10.5727      0.00000

 k-point    27 :       0.2857    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.1570      2.00000
      2       1.5899      2.00000
      3       1.7284      2.00000
      4       1.9736      2.00000
      5       2.1669      2.00000
      6       2.2264      2.00000
      7       2.4097      2.00000
      8       2.6631      2.00000
      9       2.8469      2.00000
     10       2.9499      2.00000
     11       3.1370      2.00000
     12       3.2617      2.00000
     13       3.3569      2.00000
     14       3.5030      2.00000
     15       3.5182      2.00000
     16       3.5771      2.00000
     17       3.7525      2.00001
     18       3.8674      2.00020
     19       4.0178      2.00697
     20       4.2382      2.06798
     21       5.6163     -0.00000
     22       5.9748     -0.00000
     23       6.0015     -0.00000
     24       6.2188     -0.00000
     25       6.4339     -0.00000
     26       6.7009     -0.00000
     27       6.8773     -0.00000
     28       6.8780     -0.00000
     29       7.2219     -0.00000
     30       7.2846     -0.00000
     31       7.4829     -0.00000
     32       7.7745     -0.00000
     33       8.3169     -0.00000
     34       8.3260     -0.00000
     35       9.0329     -0.00000
     36       9.1127     -0.00000
     37       9.3181     -0.00000
     38       9.4991     -0.00000
     39       9.8426     -0.00000
     40      10.0274      0.00000
     41      10.2386      0.00000
     42      10.5115      0.00000
     43      10.7153      0.00000
     44      10.9563      0.00000

 k-point    28 :       0.4286    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.2548      2.00000
      2       1.3974      2.00000
      3       1.8304      2.00000
      4       1.9761      2.00000
      5       2.0759      2.00000
      6       2.2196      2.00000
      7       2.3299      2.00000
      8       2.4749      2.00000
      9       2.9449      2.00000
     10       3.0694      2.00000
     11       3.2563      2.00000
     12       3.3605      2.00000
     13       3.4579      2.00000
     14       3.6152      2.00000
     15       3.6381      2.00000
     16       3.6731      2.00000
     17       3.7594      2.00001
     18       3.8525      2.00013
     19       4.0021      2.00511
     20       4.1708      2.05794
     21       5.5269     -0.00000
     22       5.7563     -0.00000
     23       5.8288     -0.00000
     24       5.8980     -0.00000
     25       6.4975     -0.00000
     26       6.5587     -0.00000
     27       6.6280     -0.00000
     28       6.7698     -0.00000
     29       7.2617     -0.00000
     30       7.3095     -0.00000
     31       7.7124     -0.00000
     32       7.9206     -0.00000
     33       8.0570     -0.00000
     34       8.0893     -0.00000
     35       9.3006     -0.00000
     36       9.3528     -0.00000
     37       9.4198     -0.00000
     38       9.5359     -0.00000
     39       9.8983     -0.00000
     40      10.2277      0.00000
     41      10.2805      0.00000
     42      10.3618      0.00000
     43      11.0801      0.00000
     44      11.2411      0.00000

 k-point    29 :       0.0000    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.1166      2.00000
      2       1.4509      2.00000
      3       2.1550      2.00000
      4       2.1821      2.00000
      5       2.1864      2.00000
      6       2.2068      2.00000
      7       2.4685      2.00000
      8       2.5626      2.00000
      9       2.5780      2.00000
     10       3.0533      2.00000
     11       3.1753      2.00000
     12       3.2002      2.00000
     13       3.2408      2.00000
     14       3.2882      2.00000
     15       3.3318      2.00000
     16       3.4962      2.00000
     17       3.6114      2.00000
     18       3.8058      2.00003
     19       3.8609      2.00017
     20       4.1425      2.04507
     21       6.0604     -0.00000
     22       6.1189     -0.00000
     23       6.3126     -0.00000
     24       6.3374     -0.00000
     25       6.8724     -0.00000
     26       6.8818     -0.00000
     27       7.0058     -0.00000
     28       7.3186     -0.00000
     29       7.3644     -0.00000
     30       7.5510     -0.00000
     31       7.6131     -0.00000
     32       7.6301     -0.00000
     33       8.2035     -0.00000
     34       8.3984     -0.00000
     35       8.5777     -0.00000
     36       9.0739     -0.00000
     37       9.3984     -0.00000
     38       9.4075     -0.00000
     39       9.6316     -0.00000
     40       9.6716     -0.00000
     41       9.9069     -0.00000
     42      10.1561      0.00000
     43      10.2282      0.00000
     44      10.6067      0.00000

 k-point    30 :       0.1429    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.1353      2.00000
      2       1.4705      2.00000
      3       1.8736      2.00000
      4       2.1842      2.00000
      5       2.2144      2.00000
      6       2.2264      2.00000
      7       2.5443      2.00000
      8       2.6008      2.00000
      9       2.8548      2.00000
     10       2.8670      2.00000
     11       2.9935      2.00000
     12       3.2110      2.00000
     13       3.2954      2.00000
     14       3.3813      2.00000
     15       3.3885      2.00000
     16       3.5453      2.00000
     17       3.7120      2.00000
     18       3.8164      2.00005
     19       3.8688      2.00021
     20       4.1498      2.04845
     21       5.9456     -0.00000
     22       6.0092     -0.00000
     23       6.2015     -0.00000
     24       6.3420     -0.00000
     25       6.5495     -0.00000
     26       6.7977     -0.00000
     27       7.0123     -0.00000
     28       7.2587     -0.00000
     29       7.3391     -0.00000
     30       7.5546     -0.00000
     31       7.6532     -0.00000
     32       7.6682     -0.00000
     33       8.3979     -0.00000
     34       8.4610     -0.00000
     35       8.6413     -0.00000
     36       9.0379     -0.00000
     37       9.2919     -0.00000
     38       9.3852     -0.00000
     39       9.6861     -0.00000
     40       9.7793     -0.00000
     41      10.0054      0.00000
     42      10.3189      0.00000
     43      10.4206      0.00000
     44      10.6775      0.00000

 k-point    31 :       0.2857    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.1925      2.00000
      2       1.5298      2.00000
      3       1.6264      2.00000
      4       1.9692      2.00000
      5       2.2474      2.00000
      6       2.2880      2.00000
      7       2.6493      2.00000
      8       2.6563      2.00000
      9       2.7559      2.00000
     10       2.9579      2.00000
     11       3.0745      2.00000
     12       3.2316      2.00000
     13       3.3038      2.00000
     14       3.4291      2.00000
     15       3.6151      2.00000
     16       3.6371      2.00000
     17       3.7511      2.00001
     18       3.8053      2.00003
     19       3.9842      2.00353
     20       4.1568      2.05169
     21       5.5888     -0.00000
     22       5.8735     -0.00000
     23       6.0019     -0.00000
     24       6.0861     -0.00000
     25       6.3763     -0.00000
     26       6.5991     -0.00000
     27       6.9664     -0.00000
     28       6.9856     -0.00000
     29       7.3928     -0.00000
     30       7.5262     -0.00000
     31       7.7378     -0.00000
     32       7.8096     -0.00000
     33       8.3346     -0.00000
     34       8.4798     -0.00000
     35       8.8627     -0.00000
     36       9.1108     -0.00000
     37       9.3545     -0.00000
     38       9.4928     -0.00000
     39       9.7163     -0.00000
     40       9.9459      0.00000
     41      10.2627      0.00000
     42      10.4435      0.00000
     43      10.7284      0.00000
     44      10.9129      0.00000

 k-point    32 :       0.4286    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.2907      2.00000
      2       1.4337      2.00000
      3       1.6308      2.00000
      4       1.7763      2.00000
      5       2.3387      2.00000
      6       2.3987      2.00000
      7       2.4754      2.00000
      8       2.5628      2.00000
      9       2.7541      2.00000
     10       2.8984      2.00000
     11       3.3380      2.00000
     12       3.4229      2.00000
     13       3.4999      2.00000
     14       3.5558      2.00000
     15       3.5597      2.00000
     16       3.6531      2.00000
     17       3.7106      2.00000
     18       3.8758      2.00025
     19       3.9991      2.00481
     20       4.1185      2.03437
     21       5.4565     -0.00000
     22       5.7352     -0.00000
     23       5.7552     -0.00000
     24       5.7785     -0.00000
     25       6.4431     -0.00000
     26       6.5400     -0.00000
     27       6.6771     -0.00000
     28       6.9231     -0.00000
     29       7.4129     -0.00000
     30       7.5439     -0.00000
     31       7.8634     -0.00000
     32       7.9311     -0.00000
     33       8.1241     -0.00000
     34       8.3144     -0.00000
     35       9.1776     -0.00000
     36       9.2777     -0.00000
     37       9.4133     -0.00000
     38       9.6041     -0.00000
     39       9.6725     -0.00000
     40      10.1311      0.00000
     41      10.3873      0.00000
     42      10.3994      0.00000
     43      10.8341      0.00000
     44      11.0352      0.00000

 k-point    33 :       0.0000    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.1882      2.00000
      2       1.2986      2.00000
      3       2.2224      2.00000
      4       2.2717      2.00000
      5       2.2826      2.00000
      6       2.3287      2.00000
      7       2.3874      2.00000
      8       2.4045      2.00000
      9       2.5343      2.00000
     10       2.8752      2.00000
     11       3.1916      2.00000
     12       3.3060      2.00000
     13       3.3231      2.00000
     14       3.4436      2.00000
     15       3.4508      2.00000
     16       3.5109      2.00000
     17       3.6084      2.00000
     18       3.7203      2.00000
     19       3.7253      2.00000
     20       3.9424      2.00138
     21       6.0039     -0.00000
     22       6.0883     -0.00000
     23       6.2774     -0.00000
     24       6.4866     -0.00000
     25       6.5537     -0.00000
     26       6.6881     -0.00000
     27       7.1519     -0.00000
     28       7.2879     -0.00000
     29       7.5583     -0.00000
     30       7.6572     -0.00000
     31       7.9969     -0.00000
     32       8.0523     -0.00000
     33       8.1796     -0.00000
     34       8.4011     -0.00000
     35       8.5070     -0.00000
     36       9.1058     -0.00000
     37       9.1715     -0.00000
     38       9.2478     -0.00000
     39       9.5358     -0.00000
     40       9.6431     -0.00000
     41       9.7855     -0.00000
     42       9.9359      0.00000
     43      10.6914      0.00000
     44      10.9102      0.00000

 k-point    34 :       0.1429    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.2071      2.00000
      2       1.3179      2.00000
      3       1.9471      2.00000
      4       2.0591      2.00000
      5       2.2940      2.00000
      6       2.4243      2.00000
      7       2.5307      2.00000
      8       2.6111      2.00000
      9       2.7327      2.00000
     10       2.9004      2.00000
     11       2.9957      2.00000
     12       3.1357      2.00000
     13       3.2434      2.00000
     14       3.5081      2.00000
     15       3.5190      2.00000
     16       3.6285      2.00000
     17       3.6917      2.00000
     18       3.7094      2.00000
     19       3.8292      2.00007
     20       3.9579      2.00198
     21       5.9502     -0.00000
     22       6.0050     -0.00000
     23       6.0954     -0.00000
     24       6.3085     -0.00000
     25       6.4612     -0.00000
     26       6.6201     -0.00000
     27       7.1290     -0.00000
     28       7.2313     -0.00000
     29       7.5550     -0.00000
     30       7.6808     -0.00000
     31       7.9426     -0.00000
     32       8.1182     -0.00000
     33       8.2360     -0.00000
     34       8.4628     -0.00000
     35       8.6866     -0.00000
     36       9.0728     -0.00000
     37       9.1382     -0.00000
     38       9.2782     -0.00000
     39       9.5630     -0.00000
     40       9.7354     -0.00000
     41       9.8878     -0.00000
     42      10.0905      0.00000
     43      10.6802      0.00000
     44      10.8785      0.00000

 k-point    35 :       0.2857    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.2649      2.00000
      2       1.3763      2.00000
      3       1.7005      2.00000
      4       1.8141      2.00000
      5       2.3531      2.00000
      6       2.4846      2.00000
      7       2.5979      2.00000
      8       2.7801      2.00000
      9       2.8864      2.00000
     10       2.9563      2.00000
     11       3.0362      2.00000
     12       3.0612      2.00000
     13       3.1249      2.00000
     14       3.3584      2.00000
     15       3.7084      2.00000
     16       3.7110      2.00000
     17       3.7811      2.00001
     18       3.8595      2.00016
     19       3.9375      2.00123
     20       3.9968      2.00459
     21       5.6666     -0.00000
     22       5.7954     -0.00000
     23       5.8847     -0.00000
     24       5.8904     -0.00000
     25       6.4527     -0.00000
     26       6.5219     -0.00000
     27       7.0109     -0.00000
     28       7.0127     -0.00000
     29       7.6099     -0.00000
     30       7.7735     -0.00000
     31       7.9307     -0.00000
     32       8.1486     -0.00000
     33       8.2276     -0.00000
     34       8.5594     -0.00000
     35       8.8005     -0.00000
     36       9.1607     -0.00000
     37       9.1683     -0.00000
     38       9.3552     -0.00000
     39       9.7348     -0.00000
     40       9.9673      0.00000
     41      10.0384      0.00000
     42      10.3508      0.00000
     43      10.6345      0.00000
     44      10.9252      0.00000

 k-point    36 :       0.4286    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.3637      2.00000
      2       1.4761      2.00000
      3       1.5075      2.00000
      4       1.6208      2.00000
      5       2.4518      2.00000
      6       2.5842      2.00000
      7       2.5889      2.00000
      8       2.7161      2.00000
      9       2.7283      2.00000
     10       2.8604      2.00000
     11       3.0610      2.00000
     12       3.2012      2.00000
     13       3.4515      2.00000
     14       3.5016      2.00000
     15       3.7256      2.00000
     16       3.7371      2.00000
     17       3.7754      2.00001
     18       3.9285      2.00099
     19       3.9461      2.00151
     20       4.0184      2.00704
     21       5.4684     -0.00000
     22       5.5910     -0.00000
     23       5.6715     -0.00000
     24       5.6872     -0.00000
     25       6.4904     -0.00000
     26       6.5296     -0.00000
     27       6.7619     -0.00000
     28       6.8733     -0.00000
     29       7.6659     -0.00000
     30       7.8640     -0.00000
     31       7.8710     -0.00000
     32       8.0757     -0.00000
     33       8.2945     -0.00000
     34       8.6748     -0.00000
     35       8.8261     -0.00000
     36       9.0723     -0.00000
     37       9.3301     -0.00000
     38       9.4491     -0.00000
     39       9.8222     -0.00000
     40      10.0861      0.00000
     41      10.2589      0.00000
     42      10.5080      0.00000
     43      10.6280      0.00000
     44      10.8431      0.00000

 k-point    37 :       0.0000    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.2017      2.00000
      2       1.7898      2.00000
      3       1.8343      2.00000
      4       2.0416      2.00000
      5       2.2414      2.00000
      6       2.2915      2.00000
      7       2.4956      2.00000
      8       2.7391      2.00000
      9       2.7677      2.00000
     10       2.8554      2.00000
     11       2.8618      2.00000
     12       2.9078      2.00000
     13       3.0809      2.00000
     14       3.1046      2.00000
     15       3.4157      2.00000
     16       3.4286      2.00000
     17       3.6034      2.00000
     18       3.6168      2.00000
     19       3.6746      2.00000
     20       4.3649      1.73957
     21       6.1255     -0.00000
     22       6.4694     -0.00000
     23       6.5299     -0.00000
     24       7.0739     -0.00000
     25       7.1585     -0.00000
     26       7.2390     -0.00000
     27       7.2440     -0.00000
     28       7.3168     -0.00000
     29       7.4407     -0.00000
     30       7.5283     -0.00000
     31       7.5842     -0.00000
     32       7.8779     -0.00000
     33       8.1413     -0.00000
     34       8.2081     -0.00000
     35       8.5934     -0.00000
     36       9.2139     -0.00000
     37       9.3595     -0.00000
     38       9.3809     -0.00000
     39       9.4859     -0.00000
     40       9.5330     -0.00000
     41       9.6742     -0.00000
     42       9.7314     -0.00000
     43      10.0155      0.00000
     44      10.6882      0.00000

 k-point    38 :       0.1429    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.2207      2.00000
      2       1.8083      2.00000
      3       1.8551      2.00000
      4       1.9620      2.00000
      5       2.0619      2.00000
      6       2.5010      2.00000
      7       2.5181      2.00000
      8       2.6030      2.00000
      9       2.6348      2.00000
     10       2.7952      2.00000
     11       2.7984      2.00000
     12       3.1232      2.00000
     13       3.1896      2.00000
     14       3.2121      2.00000
     15       3.3911      2.00000
     16       3.4303      2.00000
     17       3.6043      2.00000
     18       3.7301      2.00000
     19       3.7826      2.00002
     20       4.3657      1.73541
     21       6.0643     -0.00000
     22       6.1881     -0.00000
     23       6.4075     -0.00000
     24       6.8123     -0.00000
     25       6.8963     -0.00000
     26       7.1428     -0.00000
     27       7.2661     -0.00000
     28       7.2754     -0.00000
     29       7.4007     -0.00000
     30       7.6177     -0.00000
     31       7.6203     -0.00000
     32       7.8499     -0.00000
     33       8.3200     -0.00000
     34       8.4501     -0.00000
     35       8.6575     -0.00000
     36       9.0678     -0.00000
     37       9.1957     -0.00000
     38       9.4230     -0.00000
     39       9.5532     -0.00000
     40       9.6914     -0.00000
     41       9.8951     -0.00000
     42       9.9006     -0.00000
     43      10.2749      0.00000
     44      10.6372      0.00000

 k-point    39 :       0.2857    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.2783      2.00000
      2       1.7145      2.00000
      3       1.8649      2.00000
      4       1.9174      2.00000
      5       2.1225      2.00000
      6       2.2890      2.00000
      7       2.3653      2.00000
      8       2.5634      2.00000
      9       2.5673      2.00000
     10       2.8274      2.00000
     11       2.9718      2.00000
     12       3.0688      2.00000
     13       3.2620      2.00000
     14       3.4315      2.00000
     15       3.5101      2.00000
     16       3.6791      2.00000
     17       3.7129      2.00000
     18       3.8199      2.00005
     19       3.9348      2.00115
     20       4.3463      1.83315
     21       5.7435     -0.00000
     22       5.9122     -0.00000
     23       6.1097     -0.00000
     24       6.3005     -0.00000
     25       6.8144     -0.00000
     26       6.8311     -0.00000
     27       6.8968     -0.00000
     28       7.2326     -0.00000
     29       7.4820     -0.00000
     30       7.7051     -0.00000
     31       7.7500     -0.00000
     32       7.8928     -0.00000
     33       8.2253     -0.00000
     34       8.4337     -0.00000
     35       9.0639     -0.00000
     36       9.1725     -0.00000
     37       9.3545     -0.00000
     38       9.4336     -0.00000
     39       9.6144     -0.00000
     40       9.9699      0.00000
     41      10.2226      0.00000
     42      10.2665      0.00000
     43      10.4405      0.00000
     44      10.7707      0.00000

 k-point    40 :       0.4286    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.3772      2.00000
      2       1.5210      2.00000
      3       1.9614      2.00000
      4       2.0201      2.00000
      5       2.1020      2.00000
      6       2.1699      2.00000
      7       2.2323      2.00000
      8       2.3777      2.00000
      9       2.6585      2.00000
     10       2.7936      2.00000
     11       2.9430      2.00000
     12       3.0767      2.00000
     13       3.5029      2.00000
     14       3.6628      2.00000
     15       3.6970      2.00000
     16       3.7310      2.00000
     17       3.8289      2.00007
     18       3.8967      2.00044
     19       4.0216      2.00748
     20       4.2471      2.06410
     21       5.5695     -0.00000
     22       5.7752     -0.00000
     23       5.7979     -0.00000
     24       5.9193     -0.00000
     25       6.6291     -0.00000
     26       6.6584     -0.00000
     27       6.8579     -0.00000
     28       7.1207     -0.00000
     29       7.5331     -0.00000
     30       7.6484     -0.00000
     31       7.8551     -0.00000
     32       8.0014     -0.00000
     33       8.0210     -0.00000
     34       8.3378     -0.00000
     35       9.2877     -0.00000
     36       9.4173     -0.00000
     37       9.4388     -0.00000
     38       9.5749     -0.00000
     39       9.7389     -0.00000
     40      10.1834      0.00000
     41      10.1850      0.00000
     42      10.3850      0.00000
     43      10.8304      0.00000
     44      11.1277      0.00000

 k-point    41 :       0.0000    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.2385      2.00000
      2       1.5860      2.00000
      3       1.8768      2.00000
      4       2.2524      2.00000
      5       2.2960      2.00000
      6       2.3307      2.00000
      7       2.3375      2.00000
      8       2.5920      2.00000
      9       2.6895      2.00000
     10       2.8999      2.00000
     11       2.9430      2.00000
     12       3.0768      2.00000
     13       3.2474      2.00000
     14       3.2726      2.00000
     15       3.2758      2.00000
     16       3.3263      2.00000
     17       3.4593      2.00000
     18       3.6755      2.00000
     19       3.6896      2.00000
     20       4.1565      2.05153
     21       6.1380     -0.00000
     22       6.3790     -0.00000
     23       6.5140     -0.00000
     24       6.8029     -0.00000
     25       6.9934     -0.00000
     26       7.1107     -0.00000
     27       7.3911     -0.00000
     28       7.5348     -0.00000
     29       7.5627     -0.00000
     30       7.6008     -0.00000
     31       7.6397     -0.00000
     32       8.1100     -0.00000
     33       8.1988     -0.00000
     34       8.2074     -0.00000
     35       8.7969     -0.00000
     36       9.0650     -0.00000
     37       9.3037     -0.00000
     38       9.4219     -0.00000
     39       9.4890     -0.00000
     40       9.6168     -0.00000
     41       9.9061     -0.00000
     42      10.0557      0.00000
     43      10.0610      0.00000
     44      10.7368      0.00000

 k-point    42 :       0.1429    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.2575      2.00000
      2       1.6056      2.00000
      3       1.8965      2.00000
      4       1.9997      2.00000
      5       2.2873      2.00000
      6       2.3361      2.00000
      7       2.3665      2.00000
      8       2.6374      2.00000
      9       2.6644      2.00000
     10       2.9766      2.00000
     11       3.0022      2.00000
     12       3.0499      2.00000
     13       3.1144      2.00000
     14       3.2582      2.00000
     15       3.3908      2.00000
     16       3.5401      2.00000
     17       3.5641      2.00000
     18       3.6339      2.00000
     19       3.7355      2.00000
     20       4.1639      2.05492
     21       6.0616     -0.00000
     22       6.1176     -0.00000
     23       6.4190     -0.00000
     24       6.6271     -0.00000
     25       6.7757     -0.00000
     26       7.0606     -0.00000
     27       7.2905     -0.00000
     28       7.3754     -0.00000
     29       7.5547     -0.00000
     30       7.7114     -0.00000
     31       7.7630     -0.00000
     32       8.1737     -0.00000
     33       8.3201     -0.00000
     34       8.4067     -0.00000
     35       8.7208     -0.00000
     36       9.0896     -0.00000
     37       9.1639     -0.00000
     38       9.5496     -0.00000
     39       9.5669     -0.00000
     40       9.6526     -0.00000
     41      10.0495      0.00000
     42      10.2032      0.00000
     43      10.2226      0.00000
     44      10.7113      0.00000

 k-point    43 :       0.2857    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.3154      2.00000
      2       1.6649      2.00000
      3       1.7525      2.00000
      4       1.9560      2.00000
      5       2.1038      2.00000
      6       2.3475      2.00000
      7       2.3776      2.00000
      8       2.4419      2.00000
      9       2.7785      2.00000
     10       2.8413      2.00000
     11       3.0321      2.00000
     12       3.1983      2.00000
     13       3.3314      2.00000
     14       3.4201      2.00000
     15       3.5169      2.00000
     16       3.5537      2.00000
     17       3.6959      2.00000
     18       3.7693      2.00001
     19       3.8625      2.00017
     20       4.1721      2.05848
     21       5.6871     -0.00000
     22       5.8624     -0.00000
     23       6.0896     -0.00000
     24       6.1009     -0.00000
     25       6.7931     -0.00000
     26       6.8758     -0.00000
     27       7.0129     -0.00000
     28       7.4714     -0.00000
     29       7.5229     -0.00000
     30       7.7152     -0.00000
     31       7.8379     -0.00000
     32       8.1155     -0.00000
     33       8.2725     -0.00000
     34       8.6110     -0.00000
     35       8.9466     -0.00000
     36       9.1852     -0.00000
     37       9.3066     -0.00000
     38       9.6215     -0.00000
     39       9.6560     -0.00000
     40       9.8045     -0.00000
     41      10.2010      0.00000
     42      10.3790      0.00000
     43      10.5258      0.00000
     44      10.8056      0.00000

 k-point    44 :       0.4286    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.4146      2.00000
      2       1.5588      2.00000
      3       1.7657      2.00000
      4       1.9106      2.00000
      5       2.0586      2.00000
      6       2.2025      2.00000
      7       2.4479      2.00000
      8       2.5262      2.00000
      9       2.5950      2.00000
     10       2.6666      2.00000
     11       3.2026      2.00000
     12       3.3085      2.00000
     13       3.5020      2.00000
     14       3.5871      2.00000
     15       3.6175      2.00000
     16       3.6641      2.00000
     17       3.7118      2.00000
     18       3.8725      2.00023
     19       3.9861      2.00368
     20       4.1338      2.04111
     21       5.4820     -0.00000
     22       5.6749     -0.00000
     23       5.7298     -0.00000
     24       5.7333     -0.00000
     25       6.7563     -0.00000
     26       6.8257     -0.00000
     27       6.8491     -0.00000
     28       7.4936     -0.00000
     29       7.5684     -0.00000
     30       7.6574     -0.00000
     31       7.9165     -0.00000
     32       8.0533     -0.00000
     33       8.0579     -0.00000
     34       8.6299     -0.00000
     35       9.2516     -0.00000
     36       9.3718     -0.00000
     37       9.5062     -0.00000
     38       9.6345     -0.00000
     39       9.6680     -0.00000
     40       9.9712      0.00000
     41      10.2613      0.00000
     42      10.4041      0.00000
     43      10.6564      0.00000
     44      10.8280      0.00000

 k-point    45 :       0.0000    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.3132      2.00000
      2       1.4281      2.00000
      3       1.9623      2.00000
      4       2.0918      2.00000
      5       2.3504      2.00000
      6       2.4087      2.00000
      7       2.4548      2.00000
      8       2.5196      2.00000
      9       2.6866      2.00000
     10       2.9847      2.00000
     11       3.0100      2.00000
     12       3.0402      2.00000
     13       3.1049      2.00000
     14       3.2025      2.00000
     15       3.4417      2.00000
     16       3.4750      2.00000
     17       3.5277      2.00000
     18       3.6447      2.00000
     19       3.6613      2.00000
     20       3.8280      2.00006
     21       6.2242     -0.00000
     22       6.3339     -0.00000
     23       6.5716     -0.00000
     24       6.6277     -0.00000
     25       6.7429     -0.00000
     26       6.7755     -0.00000
     27       7.4917     -0.00000
     28       7.5472     -0.00000
     29       7.7886     -0.00000
     30       7.8113     -0.00000
     31       7.8970     -0.00000
     32       7.9972     -0.00000
     33       8.5148     -0.00000
     34       8.5164     -0.00000
     35       8.7058     -0.00000
     36       9.1333     -0.00000
     37       9.1785     -0.00000
     38       9.2843     -0.00000
     39       9.5383     -0.00000
     40       9.6746     -0.00000
     41       9.7739     -0.00000
     42      10.0637      0.00000
     43      10.5622      0.00000
     44      10.7734      0.00000

 k-point    46 :       0.1429    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.3324      2.00000
      2       1.4475      2.00000
      3       1.9821      2.00000
      4       2.0750      2.00000
      5       2.1130      2.00000
      6       2.1908      2.00000
      7       2.6624      2.00000
      8       2.7275      2.00000
      9       2.7503      2.00000
     10       2.8473      2.00000
     11       2.8593      2.00000
     12       3.0793      2.00000
     13       3.2690      2.00000
     14       3.3800      2.00000
     15       3.3919      2.00000
     16       3.4875      2.00000
     17       3.6004      2.00000
     18       3.6567      2.00000
     19       3.6886      2.00000
     20       3.8430      2.00010
     21       6.1193     -0.00000
     22       6.1499     -0.00000
     23       6.3007     -0.00000
     24       6.3815     -0.00000
     25       6.7759     -0.00000
     26       6.8818     -0.00000
     27       7.3672     -0.00000
     28       7.3789     -0.00000
     29       7.7714     -0.00000
     30       7.8604     -0.00000
     31       7.9858     -0.00000
     32       8.1669     -0.00000
     33       8.4663     -0.00000
     34       8.6342     -0.00000
     35       8.7239     -0.00000
     36       9.1715     -0.00000
     37       9.2494     -0.00000
     38       9.2773     -0.00000
     39       9.6029     -0.00000
     40       9.7920     -0.00000
     41       9.8649     -0.00000
     42      10.1266      0.00000
     43      10.5588      0.00000
     44      10.7178      0.00000

 k-point    47 :       0.2857    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.3907      2.00000
      2       1.5064      2.00000
      3       1.8292      2.00000
      4       1.9455      2.00000
      5       2.0431      2.00000
      6       2.1729      2.00000
      7       2.4785      2.00000
      8       2.6103      2.00000
      9       2.7651      2.00000
     10       3.0733      2.00000
     11       3.1336      2.00000
     12       3.1759      2.00000
     13       3.2329      2.00000
     14       3.4063      2.00000
     15       3.5557      2.00000
     16       3.6164      2.00000
     17       3.6400      2.00000
     18       3.7767      2.00001
     19       3.7837      2.00002
     20       3.8873      2.00035
     21       5.7178     -0.00000
     22       5.8323     -0.00000
     23       5.9189     -0.00000
     24       5.9790     -0.00000
     25       6.8316     -0.00000
     26       6.8627     -0.00000
     27       7.1764     -0.00000
     28       7.3316     -0.00000
     29       7.7705     -0.00000
     30       7.8770     -0.00000
     31       7.9755     -0.00000
     32       8.2260     -0.00000
     33       8.4526     -0.00000
     34       8.6992     -0.00000
     35       8.9059     -0.00000
     36       9.2604     -0.00000
     37       9.3465     -0.00000
     38       9.4248     -0.00000
     39       9.7183     -0.00000
     40       9.9327      0.00000
     41      10.0323      0.00000
     42      10.3161      0.00000
     43      10.5341      0.00000
     44      10.8266      0.00000

 k-point    48 :       0.4286    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.4905      2.00000
      2       1.6068      2.00000
      3       1.6354      2.00000
      4       1.7523      2.00000
      5       2.1443      2.00000
      6       2.2745      2.00000
      7       2.2903      2.00000
      8       2.4222      2.00000
      9       2.8589      2.00000
     10       2.9885      2.00000
     11       3.1975      2.00000
     12       3.3014      2.00000
     13       3.4635      2.00000
     14       3.5529      2.00000
     15       3.5795      2.00000
     16       3.6887      2.00000
     17       3.7032      2.00000
     18       3.8685      2.00021
     19       3.8807      2.00029
     20       3.9476      2.00156
     21       5.4560     -0.00000
     22       5.5375     -0.00000
     23       5.6189     -0.00000
     24       5.6521     -0.00000
     25       6.8292     -0.00000
     26       6.8563     -0.00000
     27       7.0774     -0.00000
     28       7.3385     -0.00000
     29       7.8078     -0.00000
     30       7.8959     -0.00000
     31       7.9300     -0.00000
     32       8.0637     -0.00000
     33       8.4532     -0.00000
     34       8.9199     -0.00000
     35       8.9666     -0.00000
     36       9.1961     -0.00000
     37       9.4999     -0.00000
     38       9.5638     -0.00000
     39       9.7660     -0.00000
     40       9.9293      0.00000
     41      10.1981      0.00000
     42      10.4928      0.00000
     43      10.5975      0.00000
     44      10.8530      0.00000

 k-point    49 :       0.0000    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.3656      2.00000
      2       1.5756      2.00000
      3       1.9779      2.00000
      4       2.2069      2.00000
      5       2.2346      2.00000
      6       2.3965      2.00000
      7       2.4478      2.00000
      8       2.5206      2.00000
      9       2.6253      2.00000
     10       2.6493      2.00000
     11       2.9661      2.00000
     12       3.0379      2.00000
     13       3.1761      2.00000
     14       3.1985      2.00000
     15       3.2259      2.00000
     16       3.2413      2.00000
     17       3.3868      2.00000
     18       3.4103      2.00000
     19       3.9157      2.00072
     20       4.1899      2.06531
     21       6.3778     -0.00000
     22       6.5927     -0.00000
     23       6.8387     -0.00000
     24       7.1285     -0.00000
     25       7.2195     -0.00000
     26       7.2392     -0.00000
     27       7.2502     -0.00000
     28       7.3961     -0.00000
     29       7.7495     -0.00000
     30       7.7853     -0.00000
     31       7.7991     -0.00000
     32       8.0607     -0.00000
     33       8.2164     -0.00000
     34       8.4443     -0.00000
     35       8.7191     -0.00000
     36       9.0820     -0.00000
     37       9.1685     -0.00000
     38       9.3687     -0.00000
     39       9.4782     -0.00000
     40       9.4845     -0.00000
     41       9.5094     -0.00000
     42       9.6482     -0.00000
     43       9.6611     -0.00000
     44       9.9300      0.00000

 k-point    50 :       0.1429    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.3848      2.00000
      2       1.5950      2.00000
      3       1.9976      2.00000
      4       2.1235      2.00000
      5       2.2380      2.00000
      6       2.2480      2.00000
      7       2.3507      2.00000
      8       2.4987      2.00000
      9       2.7195      2.00000
     10       2.7959      2.00000
     11       2.9212      2.00000
     12       2.9483      2.00000
     13       3.0357      2.00000
     14       3.1819      2.00000
     15       3.3074      2.00000
     16       3.4768      2.00000
     17       3.4786      2.00000
     18       3.6079      2.00000
     19       3.9409      2.00133
     20       4.2006      2.06841
     21       6.2316     -0.00000
     22       6.3017     -0.00000
     23       6.6314     -0.00000
     24       6.7778     -0.00000
     25       7.0863     -0.00000
     26       7.1146     -0.00000
     27       7.2866     -0.00000
     28       7.3418     -0.00000
     29       7.7219     -0.00000
     30       7.7466     -0.00000
     31       8.0508     -0.00000
     32       8.2850     -0.00000
     33       8.3236     -0.00000
     34       8.6080     -0.00000
     35       8.7019     -0.00000
     36       8.9937     -0.00000
     37       9.0336     -0.00000
     38       9.3337     -0.00000
     39       9.3867     -0.00000
     40       9.6412     -0.00000
     41       9.7102     -0.00000
     42       9.7697     -0.00000
     43       9.9519      0.00000
     44      10.1328      0.00000

 k-point    51 :       0.2857    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.4432      2.00000
      2       1.6538      2.00000
      3       1.8815      2.00000
      4       2.0503      2.00000
      5       2.0996      2.00000
      6       2.2931      2.00000
      7       2.3215      2.00000
      8       2.4923      2.00000
      9       2.5571      2.00000
     10       2.7165      2.00000
     11       2.7393      2.00000
     12       2.9595      2.00000
     13       3.2238      2.00000
     14       3.3601      2.00000
     15       3.5902      2.00000
     16       3.6974      2.00000
     17       3.7286      2.00000
     18       3.7757      2.00001
     19       4.0093      2.00590
     20       4.2164      2.07083
     21       5.8438     -0.00000
     22       5.9042     -0.00000
     23       6.1770     -0.00000
     24       6.2479     -0.00000
     25       6.9605     -0.00000
     26       7.0114     -0.00000
     27       7.0845     -0.00000
     28       7.1872     -0.00000
     29       7.7452     -0.00000
     30       7.7774     -0.00000
     31       8.1488     -0.00000
     32       8.1875     -0.00000
     33       8.4565     -0.00000
     34       8.8451     -0.00000
     35       9.0025     -0.00000
     36       9.0059     -0.00000
     37       9.1439     -0.00000
     38       9.3668     -0.00000
     39       9.3707     -0.00000
     40       9.7084     -0.00000
     41      10.0367      0.00000
     42      10.0792      0.00000
     43      10.3663      0.00000
     44      10.5669      0.00000

 k-point    52 :       0.4286    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.5431      2.00000
      2       1.6879      2.00000
      3       1.7539      2.00000
      4       1.8981      2.00000
      5       2.1611      2.00000
      6       2.3050      2.00000
      7       2.3910      2.00000
      8       2.4201      2.00000
      9       2.5316      2.00000
     10       2.5613      2.00000
     11       2.6596      2.00000
     12       2.7965      2.00000
     13       3.5874      2.00000
     14       3.6504      2.00000
     15       3.7388      2.00000
     16       3.7629      2.00001
     17       3.9049      2.00055
     18       3.9732      2.00279
     19       4.0192      2.00715
     20       4.1675      2.05648
     21       5.6078     -0.00000
     22       5.6881     -0.00000
     23       5.7775     -0.00000
     24       5.8291     -0.00000
     25       6.8590     -0.00000
     26       6.9019     -0.00000
     27       6.9674     -0.00000
     28       7.0837     -0.00000
     29       7.8068     -0.00000
     30       7.8528     -0.00000
     31       7.9673     -0.00000
     32       7.9893     -0.00000
     33       8.6156     -0.00000
     34       8.8866     -0.00000
     35       9.1774     -0.00000
     36       9.1958     -0.00000
     37       9.3382     -0.00000
     38       9.3535     -0.00000
     39       9.4560     -0.00000
     40       9.6463     -0.00000
     41      10.3404      0.00000
     42      10.5574      0.00000
     43      10.6204      0.00000
     44      10.9352      0.00000

 k-point    53 :       0.0000    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.4042      2.00000
      2       1.6163      2.00000
      3       1.7671      2.00000
      4       1.9941      2.00000
      5       2.4466      2.00000
      6       2.4882      2.00000
      7       2.5194      2.00000
      8       2.6555      2.00000
      9       2.7105      2.00000
     10       2.8106      2.00000
     11       2.8152      2.00000
     12       2.8586      2.00000
     13       3.0108      2.00000
     14       3.0552      2.00000
     15       3.3808      2.00000
     16       3.4284      2.00000
     17       3.5212      2.00000
     18       3.5479      2.00000
     19       3.6813      2.00000
     20       3.9459      2.00150
     21       6.4156     -0.00000
     22       6.5673     -0.00000
     23       6.6276     -0.00000
     24       6.8476     -0.00000
     25       7.2696     -0.00000
     26       7.3005     -0.00000
     27       7.4894     -0.00000
     28       7.5500     -0.00000
     29       7.6279     -0.00000
     30       7.6306     -0.00000
     31       7.7866     -0.00000
     32       7.9938     -0.00000
     33       8.3619     -0.00000
     34       8.7084     -0.00000
     35       8.8421     -0.00000
     36       9.0637     -0.00000
     37       9.2262     -0.00000
     38       9.2488     -0.00000
     39       9.5261     -0.00000
     40       9.7097     -0.00000
     41       9.8175     -0.00000
     42       9.8433     -0.00000
     43       9.8532     -0.00000
     44      10.1784      0.00000

 k-point    54 :       0.1429    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.4235      2.00000
      2       1.6357      2.00000
      3       1.7870      2.00000
      4       2.0134      2.00000
      5       2.1701      2.00000
      6       2.3710      2.00000
      7       2.5250      2.00000
      8       2.5773      2.00000
      9       2.7310      2.00000
     10       2.7740      2.00000
     11       2.9028      2.00000
     12       3.0152      2.00000
     13       3.1437      2.00000
     14       3.2311      2.00000
     15       3.3084      2.00000
     16       3.4050      2.00000
     17       3.5940      2.00000
     18       3.6544      2.00000
     19       3.7159      2.00000
     20       3.9616      2.00216
     21       6.2327     -0.00000
     22       6.2413     -0.00000
     23       6.5416     -0.00000
     24       6.6110     -0.00000
     25       7.0907     -0.00000
     26       7.1027     -0.00000
     27       7.4753     -0.00000
     28       7.5102     -0.00000
     29       7.7404     -0.00000
     30       7.8435     -0.00000
     31       7.9330     -0.00000
     32       8.0879     -0.00000
     33       8.4129     -0.00000
     34       8.6751     -0.00000
     35       8.8432     -0.00000
     36       9.0735     -0.00000
     37       9.1539     -0.00000
     38       9.3044     -0.00000
     39       9.6374     -0.00000
     40       9.7374     -0.00000
     41       9.7658     -0.00000
     42       9.9737      0.00000
     43      10.1681      0.00000
     44      10.3165      0.00000

 k-point    55 :       0.2857    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.4822      2.00000
      2       1.6947      2.00000
      3       1.8471      2.00000
      4       1.9211      2.00000
      5       2.0764      2.00000
      6       2.1334      2.00000
      7       2.2897      2.00000
      8       2.5129      2.00000
      9       2.6255      2.00000
     10       2.8592      2.00000
     11       3.0030      2.00000
     12       3.1725      2.00000
     13       3.2939      2.00000
     14       3.3864      2.00000
     15       3.4949      2.00000
     16       3.5771      2.00000
     17       3.7194      2.00000
     18       3.7483      2.00000
     19       3.8291      2.00007
     20       4.0025      2.00515
     21       5.7856     -0.00000
     22       5.8599     -0.00000
     23       6.0848     -0.00000
     24       6.0898     -0.00000
     25       7.0790     -0.00000
     26       7.0973     -0.00000
     27       7.2566     -0.00000
     28       7.4154     -0.00000
     29       7.7888     -0.00000
     30       7.8489     -0.00000
     31       8.1140     -0.00000
     32       8.2119     -0.00000
     33       8.4046     -0.00000
     34       8.7664     -0.00000
     35       8.9526     -0.00000
     36       9.1377     -0.00000
     37       9.2159     -0.00000
     38       9.3862     -0.00000
     39       9.6799     -0.00000
     40       9.8730     -0.00000
     41       9.9037     -0.00000
     42      10.1046      0.00000
     43      10.5095      0.00000
     44      10.7218      0.00000

 k-point    56 :       0.4286    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.5824      2.00000
      2       1.7277      2.00000
      3       1.7949      2.00000
      4       1.9328      2.00000
      5       1.9575      2.00000
      6       2.0977      2.00000
      7       2.1769      2.00000
      8       2.3240      2.00000
      9       2.7184      2.00000
     10       2.8486      2.00000
     11       2.9504      2.00000
     12       3.0699      2.00000
     13       3.5874      2.00000
     14       3.6406      2.00000
     15       3.6782      2.00000
     16       3.7047      2.00000
     17       3.7824      2.00002
     18       3.8963      2.00044
     19       3.9033      2.00053
     20       4.0207      2.00736
     21       5.5119     -0.00000
     22       5.5807     -0.00000
     23       5.6711     -0.00000
     24       5.6791     -0.00000
     25       7.0699     -0.00000
     26       7.1166     -0.00000
     27       7.1253     -0.00000
     28       7.3668     -0.00000
     29       7.8022     -0.00000
     30       7.8748     -0.00000
     31       8.0447     -0.00000
     32       8.0604     -0.00000
     33       8.4313     -0.00000
     34       8.9892     -0.00000
     35       9.0606     -0.00000
     36       9.3042     -0.00000
     37       9.3419     -0.00000
     38       9.4908     -0.00000
     39       9.5354     -0.00000
     40       9.7652     -0.00000
     41      10.1226      0.00000
     42      10.3364      0.00000
     43      10.6440      0.00000
     44      10.8893      0.00000

 k-point    57 :       0.0000    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.4826      2.00000
      2       1.6028      2.00000
      3       1.6985      2.00000
      4       1.8239      2.00000
      5       2.5207      2.00000
      6       2.5682      2.00000
      7       2.6211      2.00000
      8       2.6753      2.00000
      9       2.7327      2.00000
     10       2.7815      2.00000
     11       2.8576      2.00000
     12       2.8883      2.00000
     13       2.9600      2.00000
     14       3.1884      2.00000
     15       3.3195      2.00000
     16       3.5096      2.00000
     17       3.5622      2.00000
     18       3.5996      2.00000
     19       3.6011      2.00000
     20       3.6022      2.00000
     21       6.4622     -0.00000
     22       6.5022     -0.00000
     23       6.5586     -0.00000
     24       6.6412     -0.00000
     25       7.0976     -0.00000
     26       7.1237     -0.00000
     27       7.4592     -0.00000
     28       7.5222     -0.00000
     29       7.9246     -0.00000
     30       7.9478     -0.00000
     31       7.9708     -0.00000
     32       8.0055     -0.00000
     33       8.5083     -0.00000
     34       8.6980     -0.00000
     35       8.8115     -0.00000
     36       8.9403     -0.00000
     37       9.2580     -0.00000
     38       9.3930     -0.00000
     39       9.4272     -0.00000
     40       9.5399     -0.00000
     41      10.2189      0.00000
     42      10.3422      0.00000
     43      10.3947      0.00000
     44      10.5560      0.00000

 k-point    58 :       0.1429    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.5021      2.00000
      2       1.6224      2.00000
      3       1.7182      2.00000
      4       1.8437      2.00000
      5       2.2482      2.00000
      6       2.3656      2.00000
      7       2.4622      2.00000
      8       2.5841      2.00000
      9       2.8856      2.00000
     10       2.8941      2.00000
     11       3.0048      2.00000
     12       3.1335      2.00000
     13       3.1364      2.00000
     14       3.2348      2.00000
     15       3.3701      2.00000
     16       3.4307      2.00000
     17       3.5632      2.00000
     18       3.6091      2.00000
     19       3.6111      2.00000
     20       3.6329      2.00000
     21       6.2511     -0.00000
     22       6.2599     -0.00000
     23       6.3820     -0.00000
     24       6.4040     -0.00000
     25       7.1227     -0.00000
     26       7.1596     -0.00000
     27       7.4357     -0.00000
     28       7.4807     -0.00000
     29       7.9458     -0.00000
     30       7.9583     -0.00000
     31       8.0162     -0.00000
     32       8.0705     -0.00000
     33       8.6233     -0.00000
     34       8.6668     -0.00000
     35       8.8303     -0.00000
     36       9.0613     -0.00000
     37       9.2908     -0.00000
     38       9.3537     -0.00000
     39       9.5204     -0.00000
     40       9.6058     -0.00000
     41      10.2228      0.00000
     42      10.3344      0.00000
     43      10.4920      0.00000
     44      10.6636      0.00000

 k-point    59 :       0.2857    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.5612      2.00000
      2       1.6818      2.00000
      3       1.7781      2.00000
      4       1.9032      2.00000
      5       2.0035      2.00000
      6       2.1231      2.00000
      7       2.2211      2.00000
      8       2.3462      2.00000
      9       2.9607      2.00000
     10       3.1432      2.00000
     11       3.2441      2.00000
     12       3.2572      2.00000
     13       3.3575      2.00000
     14       3.3970      2.00000
     15       3.4827      2.00000
     16       3.5004      2.00000
     17       3.5600      2.00000
     18       3.6542      2.00000
     19       3.6609      2.00000
     20       3.7029      2.00000
     21       5.7947     -0.00000
     22       5.8566     -0.00000
     23       5.9181     -0.00000
     24       5.9597     -0.00000
     25       7.1932     -0.00000
     26       7.2063     -0.00000
     27       7.4102     -0.00000
     28       7.4851     -0.00000
     29       7.8933     -0.00000
     30       7.9278     -0.00000
     31       8.0048     -0.00000
     32       8.1745     -0.00000
     33       8.7129     -0.00000
     34       8.7403     -0.00000
     35       8.9487     -0.00000
     36       9.1688     -0.00000
     37       9.3454     -0.00000
     38       9.3662     -0.00000
     39       9.5978     -0.00000
     40       9.6552     -0.00000
     41      10.3110      0.00000
     42      10.4405      0.00000
     43      10.6229      0.00000
     44      10.8242      0.00000

 k-point    60 :       0.4286    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.6619      2.00000
      2       1.7826      2.00000
      3       1.8077      2.00000
      4       1.8777      2.00000
      5       1.9319      2.00000
      6       2.0066      2.00000
      7       2.0277      2.00000
      8       2.1539      2.00000
      9       3.0454      2.00000
     10       3.1531      2.00000
     11       3.2449      2.00000
     12       3.2983      2.00000
     13       3.4552      2.00000
     14       3.4929      2.00000
     15       3.5435      2.00000
     16       3.6169      2.00000
     17       3.7179      2.00000
     18       3.7961      2.00002
     19       3.8244      2.00006
     20       3.8319      2.00007
     21       5.4702     -0.00000
     22       5.5193     -0.00000
     23       5.5378     -0.00000
     24       5.5737     -0.00000
     25       7.2207     -0.00000
     26       7.2501     -0.00000
     27       7.4020     -0.00000
     28       7.5365     -0.00000
     29       7.8717     -0.00000
     30       7.9267     -0.00000
     31       7.9573     -0.00000
     32       8.1067     -0.00000
     33       8.6563     -0.00000
     34       8.9279     -0.00000
     35       9.1014     -0.00000
     36       9.1448     -0.00000
     37       9.3961     -0.00000
     38       9.4459     -0.00000
     39       9.5379     -0.00000
     40       9.6024     -0.00000
     41      10.4070      0.00000
     42      10.5739      0.00000
     43      10.7214      0.00000
     44      10.9079      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
  1.204   5.375  -0.004   0.012   0.004
  5.375  22.973  -0.014   0.045   0.015
 -0.004  -0.014  -0.240  -0.001   0.002
  0.012   0.045  -0.001  -0.249  -0.000
  0.004   0.015   0.002  -0.000  -0.241
 total augmentation occupancy for first ion, spin component:           1
  2.388  -0.037   0.038  -0.112  -0.039
 -0.037   0.001  -0.002   0.003   0.002
  0.038  -0.002   0.222  -0.007   0.011
 -0.112   0.003  -0.007   0.139   0.002
 -0.039   0.002   0.011   0.002   0.210


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


    CHARGE:  cpu time    0.1724: real time    0.1724
    FORLOC:  cpu time    0.0095: real time    0.0095
    FORNL :  cpu time   12.7017: real time   12.7029
    STRESS:  cpu time    4.9434: real time    4.9438
    FORCOR:  cpu time    0.0347: real time    0.0347
    FORHAR:  cpu time    0.0251: real time    0.0251
    MIXING:  cpu time    0.0043: real time    0.0043
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    14.67694    14.67694    14.67694
  Ewald    -143.55482  -148.59364  -130.73220     0.00000     0.00000    -0.00000
  Hartree     1.18588     0.69390     1.06194    -0.00000    -0.00000     0.00000
  E(xc)    -108.56774  -108.99913  -107.81701     0.00000     0.00000    -0.00000
  Local       7.62567     2.28012    11.58265     0.00000     0.00000    -0.00000
  n-local   130.48628   131.11113   128.06724     0.01923     0.07431    -0.21302
  augment     7.40398     7.55091     7.07925    -0.00000    -0.00000     0.00000
  Kinetic   215.74968   225.88927   200.82473     0.07209    -1.13042    -0.90174
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     125.00587   124.60949   124.74353     0.00000     0.00000     0.00000
  in kB     701.30233   699.07858   699.83055     0.00000     0.00000     0.00000
  external pressure =        0.07 kB  Pullay stress =      700.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      650.00
  volume of cell :      285.59
      direct lattice vectors                 reciprocal lattice vectors
     6.884576760  0.000000000  0.000000000     0.145252212  0.000000000  0.000000000
     0.000000000  8.171094924  0.000000000     0.000000000  0.122382619  0.000000000
     0.000000000  0.000000000  5.076661641     0.000000000  0.000000000  0.196979840

  length of vectors
     6.884576760  8.171094924  5.076661641     0.145252212  0.122382619  0.196979840


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.235E-01 0.872E-01 -.253E+00   -.451E+00 0.365E+00 -.119E+01   0.467E+00 -.448E+00 0.142E+01   0.373E-06 -.703E-07 0.797E-06
   0.235E-01 -.872E-01 -.253E+00   0.451E+00 -.365E+00 -.119E+01   -.467E+00 0.448E+00 0.142E+01   -.373E-06 0.704E-07 0.797E-06
   -.235E-01 -.872E-01 -.253E+00   -.451E+00 -.365E+00 -.119E+01   0.467E+00 0.448E+00 0.142E+01   0.373E-06 0.704E-07 0.797E-06
   0.235E-01 0.872E-01 -.253E+00   0.451E+00 0.365E+00 -.119E+01   -.467E+00 -.448E+00 0.142E+01   -.373E-06 -.704E-07 0.797E-06
   -.235E-01 0.872E-01 -.253E+00   -.451E+00 0.365E+00 -.119E+01   0.467E+00 -.448E+00 0.142E+01   0.373E-06 -.704E-07 0.797E-06
   0.235E-01 -.872E-01 -.253E+00   0.451E+00 -.365E+00 -.119E+01   -.467E+00 0.448E+00 0.142E+01   -.373E-06 0.704E-07 0.797E-06
   -.235E-01 -.872E-01 -.253E+00   -.451E+00 -.365E+00 -.119E+01   0.467E+00 0.448E+00 0.142E+01   0.373E-06 0.704E-07 0.797E-06
   0.235E-01 0.872E-01 -.253E+00   0.451E+00 0.365E+00 -.119E+01   -.467E+00 -.448E+00 0.142E+01   -.373E-06 -.703E-07 0.797E-06
   -.240E-01 -.249E-01 0.130E+00   -.395E-01 -.241E+00 0.736E+00   0.713E-01 0.262E+00 -.859E+00   0.469E-06 0.627E-06 0.203E-07
   0.240E-01 0.249E-01 0.130E+00   0.395E-01 0.241E+00 0.736E+00   -.713E-01 -.262E+00 -.859E+00   -.469E-06 -.627E-06 0.203E-07
   -.240E-01 0.249E-01 0.130E+00   -.395E-01 0.241E+00 0.736E+00   0.713E-01 -.262E+00 -.859E+00   0.469E-06 -.627E-06 0.203E-07
   0.240E-01 -.249E-01 0.130E+00   0.395E-01 -.241E+00 0.736E+00   -.713E-01 0.262E+00 -.859E+00   -.469E-06 0.627E-06 0.203E-07
   -.240E-01 -.249E-01 0.130E+00   -.395E-01 -.241E+00 0.736E+00   0.713E-01 0.262E+00 -.859E+00   0.469E-06 0.627E-06 0.203E-07
   0.240E-01 0.249E-01 0.130E+00   0.395E-01 0.241E+00 0.736E+00   -.713E-01 -.262E+00 -.859E+00   -.469E-06 -.627E-06 0.203E-07
   -.240E-01 0.249E-01 0.130E+00   -.395E-01 0.241E+00 0.736E+00   0.713E-01 -.262E+00 -.859E+00   0.469E-06 -.627E-06 0.203E-07
   0.240E-01 -.249E-01 0.130E+00   0.395E-01 -.241E+00 0.736E+00   -.713E-01 0.262E+00 -.859E+00   -.469E-06 0.627E-06 0.203E-07
   -.272E+00 -.169E+00 0.190E-01   -.657E+00 -.292E-01 0.706E-01   0.914E+00 0.199E+00 -.952E-01   0.173E-08 -.300E-06 -.103E-05
   0.272E+00 0.169E+00 0.190E-01   0.657E+00 0.292E-01 0.706E-01   -.914E+00 -.199E+00 -.952E-01   -.173E-08 0.300E-06 -.103E-05
   -.272E+00 0.169E+00 0.190E-01   -.657E+00 0.292E-01 0.706E-01   0.914E+00 -.199E+00 -.952E-01   0.171E-08 0.300E-06 -.103E-05
   0.272E+00 -.169E+00 0.190E-01   0.657E+00 -.292E-01 0.706E-01   -.914E+00 0.199E+00 -.952E-01   -.170E-08 -.300E-06 -.103E-05
   -.272E+00 -.169E+00 0.190E-01   -.657E+00 -.292E-01 0.706E-01   0.914E+00 0.199E+00 -.952E-01   0.173E-08 -.300E-06 -.103E-05
   0.272E+00 0.169E+00 0.190E-01   0.657E+00 0.292E-01 0.706E-01   -.914E+00 -.199E+00 -.952E-01   -.173E-08 0.300E-06 -.103E-05
   -.272E+00 0.169E+00 0.190E-01   -.657E+00 0.292E-01 0.706E-01   0.914E+00 -.199E+00 -.952E-01   0.170E-08 0.300E-06 -.103E-05
   0.272E+00 -.169E+00 0.190E-01   0.657E+00 -.292E-01 0.706E-01   -.914E+00 0.199E+00 -.952E-01   -.171E-08 -.300E-06 -.103E-05
   -.540E-01 -.658E-01 0.136E-01   -.208E+00 0.681E-01 0.496E-01   0.252E+00 -.200E-02 -.517E-01   -.590E-08 0.222E-06 0.966E-07
   0.540E-01 0.658E-01 0.136E-01   0.208E+00 -.681E-01 0.496E-01   -.252E+00 0.200E-02 -.517E-01   0.590E-08 -.222E-06 0.966E-07
   -.540E-01 0.658E-01 0.136E-01   -.208E+00 -.681E-01 0.496E-01   0.252E+00 0.200E-02 -.517E-01   -.580E-08 -.222E-06 0.966E-07
   0.540E-01 -.658E-01 0.136E-01   0.208E+00 0.681E-01 0.496E-01   -.252E+00 -.200E-02 -.517E-01   0.580E-08 0.222E-06 0.966E-07
   -.540E-01 -.658E-01 0.136E-01   -.208E+00 0.681E-01 0.496E-01   0.252E+00 -.200E-02 -.517E-01   -.590E-08 0.222E-06 0.966E-07
   0.540E-01 0.658E-01 0.136E-01   0.208E+00 -.681E-01 0.496E-01   -.252E+00 0.200E-02 -.517E-01   0.590E-08 -.222E-06 0.966E-07
   -.540E-01 0.658E-01 0.136E-01   -.208E+00 -.681E-01 0.496E-01   0.252E+00 0.200E-02 -.517E-01   -.580E-08 -.222E-06 0.966E-07
   0.540E-01 -.658E-01 0.136E-01   0.208E+00 0.681E-01 0.496E-01   -.252E+00 -.200E-02 -.517E-01   0.580E-08 0.222E-06 0.966E-07
   0.375E-01 0.173E+00 0.998E-01   0.219E+00 -.156E+00 0.332E+00   -.244E+00 -.192E-01 -.426E+00   -.891E-06 0.314E-06 0.121E-06
   -.375E-01 -.173E+00 0.998E-01   -.219E+00 0.156E+00 0.332E+00   0.244E+00 0.192E-01 -.426E+00   0.891E-06 -.314E-06 0.121E-06
   0.375E-01 -.173E+00 0.998E-01   0.219E+00 0.156E+00 0.332E+00   -.244E+00 0.192E-01 -.426E+00   -.891E-06 -.314E-06 0.121E-06
   -.375E-01 0.173E+00 0.998E-01   -.219E+00 -.156E+00 0.332E+00   0.244E+00 -.192E-01 -.426E+00   0.891E-06 0.314E-06 0.121E-06
   0.375E-01 0.173E+00 0.998E-01   0.219E+00 -.156E+00 0.332E+00   -.244E+00 -.192E-01 -.426E+00   -.891E-06 0.314E-06 0.121E-06
   -.375E-01 -.173E+00 0.998E-01   -.219E+00 0.156E+00 0.332E+00   0.244E+00 0.192E-01 -.426E+00   0.891E-06 -.314E-06 0.121E-06
   0.375E-01 -.173E+00 0.998E-01   0.219E+00 0.156E+00 0.332E+00   -.244E+00 0.192E-01 -.426E+00   -.891E-06 -.314E-06 0.121E-06
   -.375E-01 0.173E+00 0.998E-01   -.219E+00 -.156E+00 0.332E+00   0.244E+00 -.192E-01 -.426E+00   0.891E-06 0.314E-06 0.121E-06
 -----------------------------------------------------------------------------------------------
   -.288E-04 0.240E-04 0.754E-01   0.472E-15 -.705E-14 -.500E-15   0.305E-15 -.194E-15 -.764E-01   0.543E-12 0.106E-12 0.496E-07
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.64135      0.95019      0.00056        -0.007592      0.004656     -0.018902
      6.24323      7.22090      0.00056         0.007592     -0.004656     -0.018902
      4.08364      3.13535      0.00056        -0.007592     -0.004656     -0.018902
      2.80094      5.03574      0.00056         0.007592      0.004656     -0.018902
      0.64135      5.03574      2.53889        -0.007592      0.004656     -0.018902
      6.24323      3.13535      2.53889         0.007592     -0.004656     -0.018902
      4.08364      7.22090      2.53889        -0.007592     -0.004656     -0.018902
      2.80094      0.95019      2.53889         0.007592      0.004656     -0.018902
      5.94229      7.37924      1.59165         0.007725     -0.003861      0.007617
      0.94228      0.79186      1.59165        -0.007725      0.003861      0.007617
      2.50000      4.87740      1.59165         0.007725      0.003861      0.007617
      4.38457      3.29369      1.59165        -0.007725     -0.003861      0.007617
      5.94229      3.29369      4.12998         0.007725     -0.003861      0.007617
      0.94228      4.87740      4.12998        -0.007725      0.003861      0.007617
      2.50000      0.79186      4.12998         0.007725      0.003861      0.007617
      4.38457      7.37924      4.12998        -0.007725     -0.003861      0.007617
      6.66329      0.95592      3.01613        -0.014709      0.001577     -0.005528
      0.22128      7.21517      3.01613         0.014709     -0.001577     -0.005528
      3.22101      3.12962      3.01613        -0.014709     -0.001577     -0.005528
      3.66357      5.04147      3.01613         0.014709      0.001577     -0.005528
      6.66329      5.04147      0.47779        -0.014709      0.001577     -0.005528
      0.22128      3.12962      0.47779         0.014709     -0.001577     -0.005528
      3.22101      7.21517      0.47779        -0.014709     -0.001577     -0.005528
      3.66357      0.95592      0.47779         0.014709      0.001577     -0.005528
      2.41738      2.19045      0.89434        -0.010477      0.000260      0.011510
      4.46720      5.98065      0.89434         0.010477     -0.000260      0.011510
      5.85966      1.89510      0.89434        -0.010477     -0.000260      0.011510
      1.02491      6.27599      0.89434         0.010477      0.000260      0.011510
      2.41738      6.27599      3.43267        -0.010477      0.000260      0.011510
      4.46720      1.89510      3.43267         0.010477     -0.000260      0.011510
      5.85966      5.98065      3.43267        -0.010477     -0.000260      0.011510
      1.02491      2.19045      3.43267         0.010477      0.000260      0.011510
      1.99820      7.44972      1.91321         0.012369     -0.002232      0.005303
      4.88637      0.72138      1.91321        -0.012369      0.002232      0.005303
      5.44049      4.80692      1.91321         0.012369      0.002232      0.005303
      1.44408      3.36417      1.91321        -0.012369     -0.002232      0.005303
      1.99820      3.36417      4.45155         0.012369     -0.002232      0.005303
      4.88637      4.80692      4.45155        -0.012369      0.002232      0.005303
      5.44049      0.72138      4.45155         0.012369      0.002232      0.005303
      1.44408      7.44972      4.45155        -0.012369     -0.002232      0.005303
 -----------------------------------------------------------------------------------
    total drift:                               -0.000029      0.000024     -0.001039


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -16.85980028 eV

  energy  without entropy=      -16.86995406  energy(sigma->0) =      -16.86318488
  enthalpy is  TOTEN    =       107.91393558 eV   P V=      124.77373587

 d Force = 0.1298210E-02[ 0.883E-03, 0.171E-02]  d Energy = 0.1434174E-02-0.136E-03
 d Force = 0.4352230E-01[ 0.429E-01, 0.441E-01]  d Ewald  = 0.3627011E-02 0.399E-01


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


    POTLOK:  cpu time    0.0338: real time    0.0338


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


 Conjugate gradient step on ions:
 trial-energy change:   -0.001434  1 .order   -0.001431   -0.001856   -0.001007
  (g-gl).g = 0.197E-02      g.g   = 0.197E-02  gl.gl    = 0.722E+00
 g(Force)  = 0.182E-02   g(Stress)= 0.146E-03 ortho     =-0.352E-05
 gamma     =   0.00273
 trial     =   0.94293
 opt step  =   2.06047  (harmonic =   2.06047) maximal distance =0.00230637
 next E    =   107.913342   (d E  =  -0.00203)


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


    WAVPRE:  cpu time    0.0119: real time    0.0119
 FEWALD executed in parallel
    FEWALD:  cpu time    0.0019: real time    0.0029
    GENKIN:  cpu time    0.0333: real time    0.0333
    ORTHCH:  cpu time    0.6134: real time    0.6134
     LOOP+:  cpu time   46.9665: real time   46.9782


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


    POTLOK:  cpu time    0.0258: real time    0.0258
    SETDIJ:  cpu time    0.0068: real time    0.0068
     EDDAV:  cpu time    4.7198: real time    4.7203
       DOS:  cpu time    0.0068: real time    0.0068
    CHARGE:  cpu time    0.1867: real time    0.1868
    MIXING:  cpu time    0.0030: real time    0.0030
    --------------------------------------------
      LOOP:  cpu time    4.9509: real time    4.9514

 eigenvalue-minimisations  :  5376
 total energy-change (2. order) :-0.4389371E-01  (-0.1091465E-02)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9506324 magnetization 

  free energy =  -0.169036939932E+02  energy without entropy=  -0.169139124390E+02


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




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


    POTLOK:  cpu time    0.0202: real time    0.0202
    SETDIJ:  cpu time    0.0062: real time    0.0062
     EDDAV:  cpu time    5.5586: real time    5.5592
       DOS:  cpu time    0.0073: real time    0.0073
    CHARGE:  cpu time    0.1676: real time    0.1676
    MIXING:  cpu time    0.0038: real time    0.0038
    --------------------------------------------
      LOOP:  cpu time    5.7647: real time    5.7653

 eigenvalue-minimisations  :  6624
 total energy-change (2. order) : 0.4510174E-04  (-0.2719451E-04)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9507499 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6967
  1.6967

  free energy =  -0.169036488914E+02  energy without entropy=  -0.169138450295E+02


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




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


    POTLOK:  cpu time    0.0218: real time    0.0218
    SETDIJ:  cpu time    0.0060: real time    0.0060
     EDDAV:  cpu time    5.4930: real time    5.4936
       DOS:  cpu time    0.0072: real time    0.0072
    CHARGE:  cpu time    0.1754: real time    0.1754
    MIXING:  cpu time    0.0042: real time    0.0042
    --------------------------------------------
      LOOP:  cpu time    5.7084: real time    5.7090

 eigenvalue-minimisations  :  6808
 total energy-change (2. order) : 0.9980090E-05  (-0.3402975E-05)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9507732 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7444
  1.3367  2.1522

  free energy =  -0.169036389113E+02  energy without entropy=  -0.169138201540E+02


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




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


    POTLOK:  cpu time    0.0212: real time    0.0212
    SETDIJ:  cpu time    0.0056: real time    0.0056
     EDDAV:  cpu time    4.5660: real time    4.5666
       DOS:  cpu time    0.0071: real time    0.0071
    CHARGE:  cpu time    0.1706: real time    0.1715
    MIXING:  cpu time    0.0041: real time    0.0041
    --------------------------------------------
      LOOP:  cpu time    4.7756: real time    4.7769

 eigenvalue-minimisations  :  5052
 total energy-change (2. order) :-0.9427347E-06  (-0.4150462E-06)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9507759 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8099
  1.0735  1.6660  2.6903

  free energy =  -0.169036398541E+02  energy without entropy=  -0.169138193993E+02


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




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


    POTLOK:  cpu time    0.0224: real time    0.0234
    SETDIJ:  cpu time    0.0054: real time    0.0065
     EDDAV:  cpu time    3.4930: real time    3.4941
       DOS:  cpu time    0.0071: real time    0.0071
    CHARGE:  cpu time    0.1653: real time    0.1653
    MIXING:  cpu time    0.0042: real time    0.0042
    --------------------------------------------
      LOOP:  cpu time    3.6987: real time    3.7024

 eigenvalue-minimisations  :  3116
 total energy-change (2. order) :-0.1726075E-06  (-0.8982974E-08)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9507766 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7519
  2.7156  1.0291  1.4232  1.8398

  free energy =  -0.169036400267E+02  energy without entropy=  -0.169138196608E+02


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




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


    POTLOK:  cpu time    0.0228: real time    0.0228
    SETDIJ:  cpu time    0.0061: real time    0.0061
     EDDAV:  cpu time    3.4738: real time    3.4742
       DOS:  cpu time    0.0070: real time    0.0070
    --------------------------------------------
      LOOP:  cpu time    3.5107: real time    3.5111

 eigenvalue-minimisations  :  2984
 total energy-change (2. order) :-0.6280402E-08  (-0.1691064E-08)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9507766 magnetization 

  free energy =  -0.169036400329E+02  energy without entropy=  -0.169138198138E+02


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




 average (electrostatic) potential at core
  the test charge radii are     0.9748
  (the norm of the test charge is              1.0000)
       1 -25.9607       2 -25.9607       3 -25.9607       4 -25.9607       5 -25.9607
       6 -25.9607       7 -25.9607       8 -25.9607       9 -25.8898      10 -25.8898
      11 -25.8898      12 -25.8898      13 -25.8898      14 -25.8898      15 -25.8898
      16 -25.8898      17 -25.9222      18 -25.9222      19 -25.9222      20 -25.9222
      21 -25.9222      22 -25.9222      23 -25.9222      24 -25.9222      25 -25.8460
      26 -25.8460      27 -25.8460      28 -25.8460      29 -25.8460      30 -25.8460
      31 -25.8460      32 -25.8460      33 -26.0260      34 -26.0260      35 -26.0260
      36 -26.0260      37 -26.0260      38 -26.0260      39 -26.0260      40 -26.0260
 
 
 
 E-fermi :   4.4644     XC(G=0):  -9.5549     alpha+bet :-20.5638


 k-point     1 :       0.0000    0.0833    0.0500
  band No.  band energies     occupation 
      1       0.9616      2.00000
      2       1.5055      2.00000
      3       1.7418      2.00000
      4       1.9982      2.00000
      5       2.0403      2.00000
      6       2.5155      2.00000
      7       2.6215      2.00000
      8       2.7696      2.00000
      9       2.8698      2.00000
     10       2.9205      2.00000
     11       3.2105      2.00000
     12       3.2740      2.00000
     13       3.3938      2.00000
     14       3.4260      2.00000
     15       3.5127      2.00000
     16       3.6205      2.00000
     17       3.8418      2.00010
     18       4.1871      2.06451
     19       4.2128      2.07060
     20       4.3887      1.59272
     21       5.5279     -0.00000
     22       5.7337     -0.00000
     23       5.9222     -0.00000
     24       6.0902     -0.00000
     25       6.2089     -0.00000
     26       6.2915     -0.00000
     27       6.5512     -0.00000
     28       7.1266     -0.00000
     29       7.1340     -0.00000
     30       7.2507     -0.00000
     31       7.3725     -0.00000
     32       7.4421     -0.00000
     33       8.0668     -0.00000
     34       8.1527     -0.00000
     35       8.8129     -0.00000
     36       8.9508     -0.00000
     37       9.2191     -0.00000
     38       9.4403     -0.00000
     39       9.8122     -0.00000
     40       9.8408     -0.00000
     41      10.0989      0.00000
     42      10.2995      0.00000
     43      10.5487      0.00000
     44      10.8132      0.00000

 k-point     2 :       0.1429    0.0833    0.0500
  band No.  band energies     occupation 
      1       0.9800      2.00000
      2       1.5257      2.00000
      3       1.7111      2.00000
      4       1.7626      2.00000
      5       2.2751      2.00000
      6       2.3914      2.00000
      7       2.5264      2.00000
      8       2.8675      2.00000
      9       2.9626      2.00000
     10       3.1480      2.00000
     11       3.2384      2.00000
     12       3.2874      2.00000
     13       3.3697      2.00000
     14       3.4300      2.00000
     15       3.5421      2.00000
     16       3.6242      2.00000
     17       3.7782      2.00001
     18       4.0601      2.01492
     19       4.2341      2.06909
     20       4.4349      1.24671
     21       5.4187     -0.00000
     22       5.5856     -0.00000
     23       5.8841     -0.00000
     24       5.9901     -0.00000
     25       6.1465     -0.00000
     26       6.5266     -0.00000
     27       6.6248     -0.00000
     28       6.8320     -0.00000
     29       7.1123     -0.00000
     30       7.2397     -0.00000
     31       7.2993     -0.00000
     32       7.3909     -0.00000
     33       8.3389     -0.00000
     34       8.3865     -0.00000
     35       8.8281     -0.00000
     36       8.8793     -0.00000
     37       9.2427     -0.00000
     38       9.4237     -0.00000
     39       9.7552     -0.00000
     40       9.9232     -0.00000
     41      10.0673      0.00000
     42      10.1684      0.00000
     43      10.8472      0.00000
     44      10.9273      0.00000

 k-point     3 :       0.2857    0.0833    0.0500
  band No.  band energies     occupation 
      1       1.0361      2.00000
      2       1.4647      2.00000
      3       1.5868      2.00000
      4       1.8254      2.00000
      5       2.0338      2.00000
      6       2.2822      2.00000
      7       2.8246      2.00000
      8       2.9639      2.00000
      9       3.2387      2.00000
     10       3.2655      2.00000
     11       3.3170      2.00000
     12       3.3307      2.00000
     13       3.4297      2.00000
     14       3.5244      2.00000
     15       3.5716      2.00000
     16       3.6231      2.00000
     17       3.7282      2.00000
     18       3.8450      2.00011
     19       4.1597      2.05317
     20       4.3414      1.85310
     21       5.3256     -0.00000
     22       5.4264     -0.00000
     23       5.7734     -0.00000
     24       5.8451     -0.00000
     25       5.8831     -0.00000
     26       6.2401     -0.00000
     27       6.7718     -0.00000
     28       7.0269     -0.00000
     29       7.1128     -0.00000
     30       7.2188     -0.00000
     31       7.2601     -0.00000
     32       7.5471     -0.00000
     33       8.4790     -0.00000
     34       8.5036     -0.00000
     35       8.7575     -0.00000
     36       8.8991     -0.00000
     37       9.2070     -0.00000
     38       9.3227     -0.00000
     39       9.7991     -0.00000
     40       9.8768     -0.00000
     41      10.1563      0.00000
     42      10.3575      0.00000
     43      11.0086      0.00000
     44      11.1328      0.00000

 k-point     4 :       0.4286    0.0833    0.0500
  band No.  band energies     occupation 
      1       1.1326      2.00000
      2       1.2738      2.00000
      3       1.6901      2.00000
      4       1.8371      2.00000
      5       1.9339      2.00000
      6       2.0843      2.00000
      7       3.0498      2.00000
      8       3.1544      2.00000
      9       3.3015      2.00000
     10       3.3900      2.00000
     11       3.4288      2.00000
     12       3.4443      2.00000
     13       3.5013      2.00000
     14       3.5117      2.00000
     15       3.6361      2.00000
     16       3.6532      2.00000
     17       3.7170      2.00000
     18       3.7721      2.00001
     19       3.9153      2.00072
     20       4.1115      2.03169
     21       5.3523     -0.00000
     22       5.4740     -0.00000
     23       5.6384     -0.00000
     24       5.6506     -0.00000
     25       5.7605     -0.00000
     26       5.7786     -0.00000
     27       6.9672     -0.00000
     28       7.1217     -0.00000
     29       7.1516     -0.00000
     30       7.1612     -0.00000
     31       7.6173     -0.00000
     32       7.8617     -0.00000
     33       8.1348     -0.00000
     34       8.2166     -0.00000
     35       8.8867     -0.00000
     36       8.9485     -0.00000
     37       9.1040     -0.00000
     38       9.1860     -0.00000
     39       9.7946     -0.00000
     40       9.8683     -0.00000
     41      10.4535      0.00000
     42      10.5501      0.00000
     43      11.2315      0.00000
     44      11.3362      0.00000

 k-point     5 :       0.0000    0.2500    0.0500
  band No.  band energies     occupation 
      1       0.9951      2.00000
      2       1.3155      2.00000
      3       2.0213      2.00000
      4       2.0301      2.00000
      5       2.0770      2.00000
      6       2.3379      2.00000
      7       2.4315      2.00000
      8       2.9379      2.00000
      9       3.0085      2.00000
     10       3.0536      2.00000
     11       3.1397      2.00000
     12       3.2036      2.00000
     13       3.3985      2.00000
     14       3.4917      2.00000
     15       3.5043      2.00000
     16       3.6911      2.00000
     17       3.7542      2.00001
     18       4.0148      2.00662
     19       4.0365      2.00993
     20       4.2307      2.06987
     21       5.6747     -0.00000
     22       5.8121     -0.00000
     23       5.9704     -0.00000
     24       6.2156     -0.00000
     25       6.3095     -0.00000
     26       6.4314     -0.00000
     27       6.5082     -0.00000
     28       6.7758     -0.00000
     29       7.2753     -0.00000
     30       7.3281     -0.00000
     31       7.4091     -0.00000
     32       7.6320     -0.00000
     33       8.0229     -0.00000
     34       8.1744     -0.00000
     35       8.8863     -0.00000
     36       9.0404     -0.00000
     37       9.0736     -0.00000
     38       9.2116     -0.00000
     39       9.5363     -0.00000
     40       9.8638     -0.00000
     41       9.9102     -0.00000
     42      10.3877      0.00000
     43      10.4872      0.00000
     44      10.9204      0.00000

 k-point     6 :       0.1429    0.2500    0.0500
  band No.  band energies     occupation 
      1       1.0136      2.00000
      2       1.3350      2.00000
      3       1.7461      2.00000
      4       2.0353      2.00000
      5       2.0907      2.00000
      6       2.4229      2.00000
      7       2.7303      2.00000
      8       2.8130      2.00000
      9       2.9712      2.00000
     10       3.0364      2.00000
     11       3.2201      2.00000
     12       3.3524      2.00000
     13       3.3936      2.00000
     14       3.5005      2.00000
     15       3.5260      2.00000
     16       3.6951      2.00000
     17       3.7061      2.00000
     18       3.8305      2.00007
     19       4.1132      2.03237
     20       4.2769      2.03465
     21       5.5560     -0.00000
     22       5.7396     -0.00000
     23       5.9341     -0.00000
     24       6.0640     -0.00000
     25       6.2301     -0.00000
     26       6.4930     -0.00000
     27       6.6361     -0.00000
     28       6.7131     -0.00000
     29       7.1629     -0.00000
     30       7.3156     -0.00000
     31       7.3330     -0.00000
     32       7.6081     -0.00000
     33       8.2669     -0.00000
     34       8.3538     -0.00000
     35       8.8875     -0.00000
     36       8.9988     -0.00000
     37       9.0202     -0.00000
     38       9.2216     -0.00000
     39       9.6165     -0.00000
     40       9.8162     -0.00000
     41       9.9309      0.00000
     42      10.4494      0.00000
     43      10.5078      0.00000
     44      11.0382      0.00000

 k-point     7 :       0.2857    0.2500    0.0500
  band No.  band energies     occupation 
      1       1.0700      2.00000
      2       1.3943      2.00000
      3       1.4999      2.00000
      4       1.8345      2.00000
      5       2.1129      2.00000
      6       2.5749      2.00000
      7       2.8458      2.00000
      8       2.9911      2.00000
      9       3.1219      2.00000
     10       3.1375      2.00000
     11       3.2677      2.00000
     12       3.3043      2.00000
     13       3.4707      2.00000
     14       3.5305      2.00000
     15       3.6118      2.00000
     16       3.6172      2.00000
     17       3.6756      2.00000
     18       3.7301      2.00000
     19       4.0512      2.01285
     20       4.2344      2.06902
     21       5.3978     -0.00000
     22       5.6631     -0.00000
     23       5.7691     -0.00000
     24       5.8236     -0.00000
     25       6.1078     -0.00000
     26       6.1975     -0.00000
     27       6.6174     -0.00000
     28       7.0639     -0.00000
     29       7.1130     -0.00000
     30       7.3601     -0.00000
     31       7.4917     -0.00000
     32       7.5492     -0.00000
     33       8.3547     -0.00000
     34       8.5145     -0.00000
     35       8.7893     -0.00000
     36       8.8815     -0.00000
     37       9.0410     -0.00000
     38       9.1597     -0.00000
     39       9.6298     -0.00000
     40       9.7937     -0.00000
     41      10.1449      0.00000
     42      10.5719      0.00000
     43      10.7134      0.00000
     44      11.2196      0.00000

 k-point     8 :       0.4286    0.2500    0.0500
  band No.  band energies     occupation 
      1       1.1670      2.00000
      2       1.3086      2.00000
      3       1.4954      2.00000
      4       1.6411      2.00000
      5       2.2224      2.00000
      6       2.3767      2.00000
      7       3.0862      2.00000
      8       3.1952      2.00000
      9       3.2121      2.00000
     10       3.3123      2.00000
     11       3.3768      2.00000
     12       3.4083      2.00000
     13       3.4335      2.00000
     14       3.4431      2.00000
     15       3.5491      2.00000
     16       3.6269      2.00000
     17       3.7479      2.00000
     18       3.7741      2.00001
     19       3.8485      2.00012
     20       4.0076      2.00575
     21       5.4152     -0.00000
     22       5.6090     -0.00000
     23       5.6097     -0.00000
     24       5.7873     -0.00000
     25       5.7889     -0.00000
     26       5.9697     -0.00000
     27       6.7840     -0.00000
     28       6.9513     -0.00000
     29       7.3358     -0.00000
     30       7.4416     -0.00000
     31       7.7216     -0.00000
     32       7.8032     -0.00000
     33       8.1499     -0.00000
     34       8.1850     -0.00000
     35       8.8352     -0.00000
     36       8.8899     -0.00000
     37       8.9682     -0.00000
     38       9.0537     -0.00000
     39       9.6041     -0.00000
     40       9.7703     -0.00000
     41      10.4293      0.00000
     42      10.6032      0.00000
     43      11.1556      0.00000
     44      11.3501      0.00000

 k-point     9 :       0.0000    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.0635      2.00000
      2       1.1692      2.00000
      3       2.0954      2.00000
      4       2.1504      2.00000
      5       2.1970      2.00000
      6       2.2450      2.00000
      7       2.3750      2.00000
      8       2.6962      2.00000
      9       3.0137      2.00000
     10       3.1064      2.00000
     11       3.3434      2.00000
     12       3.4302      2.00000
     13       3.4389      2.00000
     14       3.4722      2.00000
     15       3.5982      2.00000
     16       3.6003      2.00000
     17       3.7436      2.00000
     18       3.7809      2.00001
     19       3.8279      2.00006
     20       4.0185      2.00711
     21       5.9259     -0.00000
     22       5.9445     -0.00000
     23       6.0895     -0.00000
     24       6.1418     -0.00000
     25       6.2078     -0.00000
     26       6.4186     -0.00000
     27       6.6264     -0.00000
     28       6.9270     -0.00000
     29       6.9782     -0.00000
     30       7.2645     -0.00000
     31       7.6062     -0.00000
     32       7.8626     -0.00000
     33       8.1875     -0.00000
     34       8.3669     -0.00000
     35       8.5166     -0.00000
     36       9.0088     -0.00000
     37       9.0791     -0.00000
     38       9.1417     -0.00000
     39       9.3064     -0.00000
     40       9.5925     -0.00000
     41       9.9422      0.00000
     42      10.0577      0.00000
     43      10.7558      0.00000
     44      10.9361      0.00000

 k-point    10 :       0.1429    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.0822      2.00000
      2       1.1882      2.00000
      3       1.8174      2.00000
      4       1.9271      2.00000
      5       2.3638      2.00000
      6       2.4826      2.00000
      7       2.6040      2.00000
      8       2.7271      2.00000
      9       3.0330      2.00000
     10       3.1250      2.00000
     11       3.1435      2.00000
     12       3.4337      2.00000
     13       3.4852      2.00000
     14       3.4879      2.00000
     15       3.5004      2.00000
     16       3.6150      2.00000
     17       3.6883      2.00000
     18       3.8377      2.00009
     19       3.9146      2.00071
     20       4.0485      2.01227
     21       5.7549     -0.00000
     22       5.9272     -0.00000
     23       5.9595     -0.00000
     24       6.1149     -0.00000
     25       6.2447     -0.00000
     26       6.3617     -0.00000
     27       6.5589     -0.00000
     28       6.9044     -0.00000
     29       6.9974     -0.00000
     30       7.2139     -0.00000
     31       7.6309     -0.00000
     32       7.9924     -0.00000
     33       8.1808     -0.00000
     34       8.4878     -0.00000
     35       8.5667     -0.00000
     36       8.9883     -0.00000
     37       9.0174     -0.00000
     38       9.2459     -0.00000
     39       9.2675     -0.00000
     40       9.5548     -0.00000
     41      10.0044      0.00000
     42      10.1264      0.00000
     43      10.7735      0.00000
     44      10.9846      0.00000

 k-point    11 :       0.2857    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.1393      2.00000
      2       1.2463      2.00000
      3       1.5716      2.00000
      4       1.6821      2.00000
      5       2.4367      2.00000
      6       2.7670      2.00000
      7       2.9096      2.00000
      8       2.9332      2.00000
      9       2.9845      2.00000
     10       3.1079      2.00000
     11       3.1794      2.00000
     12       3.2713      2.00000
     13       3.3745      2.00000
     14       3.4587      2.00000
     15       3.5268      2.00000
     16       3.5992      2.00000
     17       3.7387      2.00000
     18       3.8917      2.00039
     19       3.9015      2.00051
     20       4.0785      2.01994
     21       5.5287     -0.00000
     22       5.6563     -0.00000
     23       5.8852     -0.00000
     24       6.0514     -0.00000
     25       6.0713     -0.00000
     26       6.3534     -0.00000
     27       6.4242     -0.00000
     28       6.7664     -0.00000
     29       7.2606     -0.00000
     30       7.3908     -0.00000
     31       7.7256     -0.00000
     32       8.0589     -0.00000
     33       8.1010     -0.00000
     34       8.4875     -0.00000
     35       8.5913     -0.00000
     36       8.8669     -0.00000
     37       8.9571     -0.00000
     38       9.2791     -0.00000
     39       9.2833     -0.00000
     40       9.5571     -0.00000
     41      10.2298      0.00000
     42      10.4140      0.00000
     43      10.7745      0.00000
     44      11.0290      0.00000

 k-point    12 :       0.4286    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.2371      2.00000
      2       1.3455      2.00000
      3       1.3797      2.00000
      4       1.4894      2.00000
      5       2.5523      2.00000
      6       2.7111      2.00000
      7       2.9021      2.00000
      8       3.0679      2.00000
      9       3.1532      2.00000
     10       3.2386      2.00000
     11       3.2689      2.00000
     12       3.3585      2.00000
     13       3.3876      2.00000
     14       3.4176      2.00000
     15       3.6035      2.00000
     16       3.6770      2.00000
     17       3.6778      2.00000
     18       3.7697      2.00001
     19       3.8284      2.00007
     20       3.8965      2.00045
     21       5.5058     -0.00000
     22       5.5679     -0.00000
     23       5.6867     -0.00000
     24       5.7606     -0.00000
     25       6.1292     -0.00000
     26       6.2774     -0.00000
     27       6.4804     -0.00000
     28       6.6309     -0.00000
     29       7.5676     -0.00000
     30       7.7048     -0.00000
     31       7.8056     -0.00000
     32       8.0110     -0.00000
     33       8.0303     -0.00000
     34       8.3214     -0.00000
     35       8.4320     -0.00000
     36       8.6274     -0.00000
     37       9.0276     -0.00000
     38       9.2552     -0.00000
     39       9.3136     -0.00000
     40       9.5335     -0.00000
     41      10.5225      0.00000
     42      10.7044      0.00000
     43      10.7752      0.00000
     44      10.9704      0.00000

 k-point    13 :       0.0000    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.0007      2.00000
      2       1.5527      2.00000
      3       1.7919      2.00000
      4       2.0389      2.00000
      5       2.0828      2.00000
      6       2.4860      2.00000
      7       2.5794      2.00000
      8       2.6650      2.00000
      9       2.8092      2.00000
     10       2.9065      2.00000
     11       3.0756      2.00000
     12       3.2812      2.00000
     13       3.3069      2.00000
     14       3.3362      2.00000
     15       3.4453      2.00000
     16       3.7600      2.00001
     17       3.8570      2.00015
     18       4.0071      2.00570
     19       4.0464      2.01182
     20       4.1707      2.05808
     21       5.7558     -0.00000
     22       5.9613     -0.00000
     23       6.1783     -0.00000
     24       6.4544     -0.00000
     25       6.4896     -0.00000
     26       6.5722     -0.00000
     27       6.5932     -0.00000
     28       6.7562     -0.00000
     29       7.1665     -0.00000
     30       7.2627     -0.00000
     31       7.3712     -0.00000
     32       7.4140     -0.00000
     33       8.1593     -0.00000
     34       8.4607     -0.00000
     35       8.9299     -0.00000
     36       9.0495     -0.00000
     37       9.0585     -0.00000
     38       9.5616     -0.00000
     39       9.8024     -0.00000
     40       9.8316     -0.00000
     41      10.0038      0.00000
     42      10.0211      0.00000
     43      10.4001      0.00000
     44      10.4511      0.00000

 k-point    14 :       0.1429    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.0191      2.00000
      2       1.5728      2.00000
      3       1.7526      2.00000
      4       1.8126      2.00000
      5       2.3181      2.00000
      6       2.4321      2.00000
      7       2.5179      2.00000
      8       2.5700      2.00000
      9       2.9508      2.00000
     10       3.0918      2.00000
     11       3.1446      2.00000
     12       3.1913      2.00000
     13       3.3010      2.00000
     14       3.3697      2.00000
     15       3.5854      2.00000
     16       3.6567      2.00000
     17       3.8699      2.00022
     18       3.9610      2.00215
     19       4.0869      2.02261
     20       4.1553      2.05118
     21       5.7022     -0.00000
     22       5.8067     -0.00000
     23       6.1127     -0.00000
     24       6.3436     -0.00000
     25       6.3831     -0.00000
     26       6.4774     -0.00000
     27       6.7060     -0.00000
     28       6.7747     -0.00000
     29       7.1622     -0.00000
     30       7.2474     -0.00000
     31       7.2659     -0.00000
     32       7.4456     -0.00000
     33       8.3195     -0.00000
     34       8.5378     -0.00000
     35       8.9158     -0.00000
     36       9.0161     -0.00000
     37       9.0714     -0.00000
     38       9.5836     -0.00000
     39       9.8235     -0.00000
     40       9.8908     -0.00000
     41       9.9004     -0.00000
     42      10.1023      0.00000
     43      10.6365      0.00000
     44      10.7104      0.00000

 k-point    15 :       0.2857    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.0756      2.00000
      2       1.5058      2.00000
      3       1.6336      2.00000
      4       1.8748      2.00000
      5       2.0785      2.00000
      6       2.3255      2.00000
      7       2.5785      2.00000
      8       2.8609      2.00000
      9       2.9693      2.00000
     10       3.1401      2.00000
     11       3.2883      2.00000
     12       3.3535      2.00000
     13       3.4456      2.00000
     14       3.4776      2.00000
     15       3.5337      2.00000
     16       3.7420      2.00000
     17       3.8081      2.00004
     18       3.9018      2.00051
     19       4.0066      2.00564
     20       4.1190      2.03478
     21       5.4602     -0.00000
     22       5.7631     -0.00000
     23       5.9868     -0.00000
     24       5.9893     -0.00000
     25       6.1272     -0.00000
     26       6.2908     -0.00000
     27       6.7127     -0.00000
     28       7.0421     -0.00000
     29       7.0427     -0.00000
     30       7.1672     -0.00000
     31       7.3073     -0.00000
     32       7.6866     -0.00000
     33       8.3565     -0.00000
     34       8.4297     -0.00000
     35       8.9499     -0.00000
     36       9.0516     -0.00000
     37       9.0857     -0.00000
     38       9.4857     -0.00000
     39       9.8860     -0.00000
     40      10.0885      0.00000
     41      10.1158      0.00000
     42      10.3143      0.00000
     43      10.9661      0.00000
     44      11.1156      0.00000

 k-point    16 :       0.4286    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.1726      2.00000
      2       1.3143      2.00000
      3       1.7366      2.00000
      4       1.8833      2.00000
      5       1.9815      2.00000
      6       2.1304      2.00000
      7       2.6741      2.00000
      8       2.8060      2.00000
      9       3.2084      2.00000
     10       3.3065      2.00000
     11       3.3473      2.00000
     12       3.5000      2.00000
     13       3.5581      2.00000
     14       3.6276      2.00000
     15       3.6390      2.00000
     16       3.6453      2.00000
     17       3.7985      2.00003
     18       3.8634      2.00018
     19       3.8735      2.00024
     20       3.9218      2.00085
     21       5.4353     -0.00000
     22       5.6535     -0.00000
     23       5.7314     -0.00000
     24       5.7941     -0.00000
     25       5.9844     -0.00000
     26       6.1819     -0.00000
     27       6.7430     -0.00000
     28       6.8745     -0.00000
     29       7.1483     -0.00000
     30       7.1968     -0.00000
     31       7.6115     -0.00000
     32       7.9469     -0.00000
     33       8.0324     -0.00000
     34       8.1880     -0.00000
     35       9.0818     -0.00000
     36       9.1440     -0.00000
     37       9.1843     -0.00000
     38       9.3502     -0.00000
     39       9.8949     -0.00000
     40      10.0770      0.00000
     41      10.3690      0.00000
     42      10.4688      0.00000
     43      11.2148      0.00000
     44      11.3228      0.00000

 k-point    17 :       0.0000    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.0347      2.00000
      2       1.3600      2.00000
      3       2.0712      2.00000
      4       2.0749      2.00000
      5       2.1200      2.00000
      6       2.3775      2.00000
      7       2.4753      2.00000
      8       2.5504      2.00000
      9       2.9060      2.00000
     10       3.0648      2.00000
     11       3.0748      2.00000
     12       3.1662      2.00000
     13       3.3551      2.00000
     14       3.5024      2.00000
     15       3.5104      2.00000
     16       3.6689      2.00000
     17       3.8455      2.00011
     18       3.8802      2.00029
     19       3.9375      2.00124
     20       4.0430      2.01116
     21       5.8390     -0.00000
     22       6.0104     -0.00000
     23       6.0632     -0.00000
     24       6.3240     -0.00000
     25       6.4929     -0.00000
     26       6.6062     -0.00000
     27       6.6684     -0.00000
     28       6.7872     -0.00000
     29       7.3757     -0.00000
     30       7.3986     -0.00000
     31       7.4743     -0.00000
     32       7.6309     -0.00000
     33       8.1867     -0.00000
     34       8.3034     -0.00000
     35       8.7442     -0.00000
     36       8.9252     -0.00000
     37       9.2069     -0.00000
     38       9.4139     -0.00000
     39       9.6220     -0.00000
     40       9.7179     -0.00000
     41       9.8206     -0.00000
     42      10.3309      0.00000
     43      10.3707      0.00000
     44      10.9173      0.00000

 k-point    18 :       0.1429    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.0534      2.00000
      2       1.3796      2.00000
      3       1.7880      2.00000
      4       2.0876      2.00000
      5       2.1352      2.00000
      6       2.4642      2.00000
      7       2.5611      2.00000
      8       2.7837      2.00000
      9       2.8475      2.00000
     10       2.9250      2.00000
     11       3.1020      2.00000
     12       3.2030      2.00000
     13       3.4015      2.00000
     14       3.4948      2.00000
     15       3.5896      2.00000
     16       3.6438      2.00000
     17       3.7962      2.00002
     18       3.8621      2.00018
     19       3.9746      2.00290
     20       4.0999      2.02717
     21       5.7374     -0.00000
     22       5.9576     -0.00000
     23       5.9730     -0.00000
     24       6.2215     -0.00000
     25       6.3091     -0.00000
     26       6.5972     -0.00000
     27       6.6417     -0.00000
     28       6.9022     -0.00000
     29       7.2480     -0.00000
     30       7.3836     -0.00000
     31       7.4995     -0.00000
     32       7.6205     -0.00000
     33       8.3583     -0.00000
     34       8.3649     -0.00000
     35       8.8346     -0.00000
     36       8.9031     -0.00000
     37       9.1858     -0.00000
     38       9.3927     -0.00000
     39       9.6162     -0.00000
     40       9.7327     -0.00000
     41       9.8979     -0.00000
     42      10.4034      0.00000
     43      10.5357      0.00000
     44      10.9474      0.00000

 k-point    19 :       0.2857    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.1101      2.00000
      2       1.4390      2.00000
      3       1.5414      2.00000
      4       1.8790      2.00000
      5       2.1642      2.00000
      6       2.6084      2.00000
      7       2.6278      2.00000
      8       2.8831      2.00000
      9       2.9822      2.00000
     10       3.0178      2.00000
     11       3.1600      2.00000
     12       3.1829      2.00000
     13       3.3638      2.00000
     14       3.6024      2.00000
     15       3.6199      2.00000
     16       3.6438      2.00000
     17       3.7909      2.00002
     18       3.9052      2.00056
     19       3.9471      2.00156
     20       4.1116      2.03171
     21       5.4822     -0.00000
     22       5.8286     -0.00000
     23       5.9132     -0.00000
     24       5.9653     -0.00000
     25       6.0260     -0.00000
     26       6.5209     -0.00000
     27       6.5379     -0.00000
     28       7.0185     -0.00000
     29       7.1661     -0.00000
     30       7.4121     -0.00000
     31       7.6200     -0.00000
     32       7.6764     -0.00000
     33       8.3271     -0.00000
     34       8.4475     -0.00000
     35       8.8588     -0.00000
     36       8.9052     -0.00000
     37       9.2587     -0.00000
     38       9.2890     -0.00000
     39       9.6393     -0.00000
     40       9.9874      0.00000
     41      10.0891      0.00000
     42      10.5283      0.00000
     43      10.7654      0.00000
     44      11.1192      0.00000

 k-point    20 :       0.4286    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.2075      2.00000
      2       1.3496      2.00000
      3       1.5400      2.00000
      4       1.6857      2.00000
      5       2.2713      2.00000
      6       2.4218      2.00000
      7       2.7180      2.00000
      8       2.8538      2.00000
      9       3.0687      2.00000
     10       3.1905      2.00000
     11       3.2804      2.00000
     12       3.3922      2.00000
     13       3.4507      2.00000
     14       3.5062      2.00000
     15       3.6847      2.00000
     16       3.7045      2.00000
     17       3.7933      2.00002
     18       3.8805      2.00029
     19       3.9267      2.00096
     20       3.9317      2.00108
     21       5.4066     -0.00000
     22       5.6791     -0.00000
     23       5.6866     -0.00000
     24       5.7662     -0.00000
     25       6.0507     -0.00000
     26       6.3731     -0.00000
     27       6.5994     -0.00000
     28       6.7809     -0.00000
     29       7.3039     -0.00000
     30       7.4604     -0.00000
     31       7.8056     -0.00000
     32       7.8979     -0.00000
     33       8.1615     -0.00000
     34       8.1750     -0.00000
     35       8.9589     -0.00000
     36       9.0243     -0.00000
     37       9.1705     -0.00000
     38       9.3249     -0.00000
     39       9.6076     -0.00000
     40      10.0506      0.00000
     41      10.3338      0.00000
     42      10.5197      0.00000
     43      11.1179      0.00000
     44      11.2313      0.00000

 k-point    21 :       0.0000    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.1043      2.00000
      2       1.2116      2.00000
      3       2.1372      2.00000
      4       2.1943      2.00000
      5       2.2391      2.00000
      6       2.2928      2.00000
      7       2.4282      2.00000
      8       2.6302      2.00000
      9       2.7512      2.00000
     10       2.7572      2.00000
     11       3.3248      2.00000
     12       3.4384      2.00000
     13       3.4655      2.00000
     14       3.4983      2.00000
     15       3.6364      2.00000
     16       3.6412      2.00000
     17       3.6835      2.00000
     18       3.7703      2.00001
     19       3.8075      2.00003
     20       3.8360      2.00008
     21       5.9339     -0.00000
     22       6.0689     -0.00000
     23       6.0882     -0.00000
     24       6.2108     -0.00000
     25       6.3526     -0.00000
     26       6.3624     -0.00000
     27       6.9630     -0.00000
     28       7.1299     -0.00000
     29       7.2365     -0.00000
     30       7.3976     -0.00000
     31       7.7269     -0.00000
     32       8.0428     -0.00000
     33       8.1030     -0.00000
     34       8.3725     -0.00000
     35       8.4350     -0.00000
     36       9.0078     -0.00000
     37       9.1237     -0.00000
     38       9.1879     -0.00000
     39       9.3981     -0.00000
     40       9.5564     -0.00000
     41       9.9239      0.00000
     42      10.0663      0.00000
     43      10.7351      0.00000
     44      10.9318      0.00000

 k-point    22 :       0.1429    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.1231      2.00000
      2       1.2308      2.00000
      3       1.8601      2.00000
      4       1.9707      2.00000
      5       2.4198      2.00000
      6       2.5252      2.00000
      7       2.6241      2.00000
      8       2.6737      2.00000
      9       2.7652      2.00000
     10       2.7930      2.00000
     11       3.1522      2.00000
     12       3.3039      2.00000
     13       3.3870      2.00000
     14       3.5134      2.00000
     15       3.6159      2.00000
     16       3.6969      2.00000
     17       3.7473      2.00000
     18       3.8218      2.00005
     19       3.8484      2.00012
     20       3.9634      2.00226
     21       5.8744     -0.00000
     22       5.9615     -0.00000
     23       6.0136     -0.00000
     24       6.1436     -0.00000
     25       6.1472     -0.00000
     26       6.3557     -0.00000
     27       6.9260     -0.00000
     28       7.1599     -0.00000
     29       7.1914     -0.00000
     30       7.4166     -0.00000
     31       7.7047     -0.00000
     32       8.0476     -0.00000
     33       8.1410     -0.00000
     34       8.5163     -0.00000
     35       8.5727     -0.00000
     36       8.9800     -0.00000
     37       9.0902     -0.00000
     38       9.1931     -0.00000
     39       9.4015     -0.00000
     40       9.5891     -0.00000
     41      10.0009      0.00000
     42      10.1772      0.00000
     43      10.7417      0.00000
     44      10.9567      0.00000

 k-point    23 :       0.2857    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.1804      2.00000
      2       1.2890      2.00000
      3       1.6140      2.00000
      4       1.7256      2.00000
      5       2.4901      2.00000
      6       2.7052      2.00000
      7       2.8140      2.00000
      8       2.8324      2.00000
      9       2.9387      2.00000
     10       2.9841      2.00000
     11       3.0502      2.00000
     12       3.1148      2.00000
     13       3.2113      2.00000
     14       3.3170      2.00000
     15       3.7447      2.00000
     16       3.7455      2.00000
     17       3.8308      2.00007
     18       3.8782      2.00027
     19       3.9457      2.00151
     20       4.0405      2.01067
     21       5.6173     -0.00000
     22       5.7908     -0.00000
     23       5.7949     -0.00000
     24       5.8718     -0.00000
     25       6.1377     -0.00000
     26       6.3253     -0.00000
     27       6.7553     -0.00000
     28       6.9314     -0.00000
     29       7.3834     -0.00000
     30       7.5760     -0.00000
     31       7.7687     -0.00000
     32       8.0928     -0.00000
     33       8.1030     -0.00000
     34       8.5268     -0.00000
     35       8.6824     -0.00000
     36       8.9539     -0.00000
     37       9.0225     -0.00000
     38       9.2189     -0.00000
     39       9.5046     -0.00000
     40       9.7665     -0.00000
     41      10.1880      0.00000
     42      10.4242      0.00000
     43      10.7269      0.00000
     44      11.0011      0.00000

 k-point    24 :       0.4286    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.2786      2.00000
      2       1.3884      2.00000
      3       1.4216      2.00000
      4       1.5327      2.00000
      5       2.6004      2.00000
      6       2.7484      2.00000
      7       2.8067      2.00000
      8       2.9117      2.00000
      9       2.9493      2.00000
     10       2.9570      2.00000
     11       3.0539      2.00000
     12       3.1360      2.00000
     13       3.4070      2.00000
     14       3.4516      2.00000
     15       3.7300      2.00000
     16       3.7557      2.00001
     17       3.8329      2.00008
     18       3.8782      2.00027
     19       3.9440      2.00145
     20       3.9567      2.00195
     21       5.4842     -0.00000
     22       5.6090     -0.00000
     23       5.6515     -0.00000
     24       5.6891     -0.00000
     25       6.2488     -0.00000
     26       6.4264     -0.00000
     27       6.5259     -0.00000
     28       6.6523     -0.00000
     29       7.5445     -0.00000
     30       7.7618     -0.00000
     31       7.7933     -0.00000
     32       8.0442     -0.00000
     33       8.1903     -0.00000
     34       8.4651     -0.00000
     35       8.6197     -0.00000
     36       8.8485     -0.00000
     37       9.0633     -0.00000
     38       9.2673     -0.00000
     39       9.5386     -0.00000
     40       9.8211     -0.00000
     41      10.4419      0.00000
     42      10.6354      0.00000
     43      10.7330      0.00000
     44      10.9434      0.00000

 k-point    25 :       0.0000    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.0796      2.00000
      2       1.6470      2.00000
      3       1.8919      2.00000
      4       2.1203      2.00000
      5       2.1412      2.00000
      6       2.1668      2.00000
      7       2.6450      2.00000
      8       2.7501      2.00000
      9       2.7885      2.00000
     10       2.8588      2.00000
     11       2.9757      2.00000
     12       3.0607      2.00000
     13       3.1442      2.00000
     14       3.1879      2.00000
     15       3.4147      2.00000
     16       3.6161      2.00000
     17       3.7458      2.00000
     18       3.8208      2.00005
     19       3.8899      2.00037
     20       4.2415      2.06656
     21       6.0938     -0.00000
     22       6.1849     -0.00000
     23       6.2656     -0.00000
     24       6.6126     -0.00000
     25       6.8955     -0.00000
     26       7.0003     -0.00000
     27       7.0172     -0.00000
     28       7.0726     -0.00000
     29       7.2683     -0.00000
     30       7.3105     -0.00000
     31       7.3695     -0.00000
     32       7.3863     -0.00000
     33       8.1574     -0.00000
     34       8.5875     -0.00000
     35       8.6039     -0.00000
     36       9.1254     -0.00000
     37       9.2492     -0.00000
     38       9.5749     -0.00000
     39       9.6533     -0.00000
     40       9.7262     -0.00000
     41       9.8384     -0.00000
     42      10.0563      0.00000
     43      10.2163      0.00000
     44      10.3378      0.00000

 k-point    26 :       0.1429    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.0983      2.00000
      2       1.6670      2.00000
      3       1.8356      2.00000
      4       1.9120      2.00000
      5       2.1615      2.00000
      6       2.4064      2.00000
      7       2.5106      2.00000
      8       2.6394      2.00000
      9       2.8087      2.00000
     10       2.8896      2.00000
     11       3.0294      2.00000
     12       3.0815      2.00000
     13       3.2246      2.00000
     14       3.4145      2.00000
     15       3.4597      2.00000
     16       3.4771      2.00000
     17       3.7209      2.00000
     18       3.9026      2.00052
     19       3.9215      2.00084
     20       4.2448      2.06507
     21       5.9681     -0.00000
     22       6.1234     -0.00000
     23       6.1259     -0.00000
     24       6.5165     -0.00000
     25       6.6598     -0.00000
     26       6.9249     -0.00000
     27       6.9698     -0.00000
     28       7.0938     -0.00000
     29       7.1979     -0.00000
     30       7.2713     -0.00000
     31       7.3526     -0.00000
     32       7.5555     -0.00000
     33       8.3038     -0.00000
     34       8.5441     -0.00000
     35       8.7448     -0.00000
     36       9.0415     -0.00000
     37       9.2353     -0.00000
     38       9.4703     -0.00000
     39       9.7560     -0.00000
     40       9.7862     -0.00000
     41       9.9778      0.00000
     42      10.2251      0.00000
     43      10.4160      0.00000
     44      10.5692      0.00000

 k-point    27 :       0.2857    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.1552      2.00000
      2       1.5883      2.00000
      3       1.7273      2.00000
      4       1.9726      2.00000
      5       2.1666      2.00000
      6       2.2240      2.00000
      7       2.4094      2.00000
      8       2.6609      2.00000
      9       2.8445      2.00000
     10       2.9484      2.00000
     11       3.1370      2.00000
     12       3.2601      2.00000
     13       3.3573      2.00000
     14       3.5035      2.00000
     15       3.5183      2.00000
     16       3.5771      2.00000
     17       3.7507      2.00001
     18       3.8677      2.00020
     19       4.0178      2.00702
     20       4.2374      2.06812
     21       5.6113     -0.00000
     22       5.9695     -0.00000
     23       5.9972     -0.00000
     24       6.2151     -0.00000
     25       6.4308     -0.00000
     26       6.6945     -0.00000
     27       6.8703     -0.00000
     28       6.8715     -0.00000
     29       7.2229     -0.00000
     30       7.2833     -0.00000
     31       7.4814     -0.00000
     32       7.7683     -0.00000
     33       8.3096     -0.00000
     34       8.3163     -0.00000
     35       9.0270     -0.00000
     36       9.1050     -0.00000
     37       9.3127     -0.00000
     38       9.4948     -0.00000
     39       9.8353     -0.00000
     40      10.0146      0.00000
     41      10.2273      0.00000
     42      10.5043      0.00000
     43      10.7123      0.00000
     44      10.9528      0.00000

 k-point    28 :       0.4286    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.2531      2.00000
      2       1.3957      2.00000
      3       1.8294      2.00000
      4       1.9752      2.00000
      5       2.0753      2.00000
      6       2.2193      2.00000
      7       2.3276      2.00000
      8       2.4727      2.00000
      9       2.9429      2.00000
     10       3.0683      2.00000
     11       3.2556      2.00000
     12       3.3598      2.00000
     13       3.4563      2.00000
     14       3.6157      2.00000
     15       3.6393      2.00000
     16       3.6735      2.00000
     17       3.7593      2.00001
     18       3.8509      2.00013
     19       4.0009      2.00503
     20       4.1700      2.05779
     21       5.5237     -0.00000
     22       5.7538     -0.00000
     23       5.8237     -0.00000
     24       5.8938     -0.00000
     25       6.4923     -0.00000
     26       6.5521     -0.00000
     27       6.6211     -0.00000
     28       6.7643     -0.00000
     29       7.2614     -0.00000
     30       7.3096     -0.00000
     31       7.7091     -0.00000
     32       7.9132     -0.00000
     33       8.0522     -0.00000
     34       8.0810     -0.00000
     35       9.2932     -0.00000
     36       9.3469     -0.00000
     37       9.4136     -0.00000
     38       9.5303     -0.00000
     39       9.8918     -0.00000
     40      10.2150      0.00000
     41      10.2730      0.00000
     42      10.3501      0.00000
     43      11.0779      0.00000
     44      11.2392      0.00000

 k-point    29 :       0.0000    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.1148      2.00000
      2       1.4495      2.00000
      3       2.1537      2.00000
      4       2.1811      2.00000
      5       2.1844      2.00000
      6       2.2048      2.00000
      7       2.4681      2.00000
      8       2.5619      2.00000
      9       2.5761      2.00000
     10       3.0519      2.00000
     11       3.1762      2.00000
     12       3.2007      2.00000
     13       3.2392      2.00000
     14       3.2877      2.00000
     15       3.3305      2.00000
     16       3.4950      2.00000
     17       3.6113      2.00000
     18       3.8068      2.00003
     19       3.8617      2.00017
     20       4.1418      2.04492
     21       6.0558     -0.00000
     22       6.1132     -0.00000
     23       6.3083     -0.00000
     24       6.3302     -0.00000
     25       6.8665     -0.00000
     26       6.8738     -0.00000
     27       7.0041     -0.00000
     28       7.3144     -0.00000
     29       7.3552     -0.00000
     30       7.5489     -0.00000
     31       7.6084     -0.00000
     32       7.6319     -0.00000
     33       8.1957     -0.00000
     34       8.3912     -0.00000
     35       8.5704     -0.00000
     36       9.0671     -0.00000
     37       9.3911     -0.00000
     38       9.4017     -0.00000
     39       9.6244     -0.00000
     40       9.6632     -0.00000
     41       9.9028     -0.00000
     42      10.1535      0.00000
     43      10.2173      0.00000
     44      10.6026      0.00000

 k-point    30 :       0.1429    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.1336      2.00000
      2       1.4691      2.00000
      3       1.8720      2.00000
      4       2.1830      2.00000
      5       2.2122      2.00000
      6       2.2261      2.00000
      7       2.5422      2.00000
      8       2.5992      2.00000
      9       2.8527      2.00000
     10       2.8681      2.00000
     11       2.9921      2.00000
     12       3.2116      2.00000
     13       3.2939      2.00000
     14       3.3801      2.00000
     15       3.3888      2.00000
     16       3.5442      2.00000
     17       3.7120      2.00000
     18       3.8177      2.00005
     19       3.8689      2.00021
     20       4.1492      2.04835
     21       5.9390     -0.00000
     22       6.0047     -0.00000
     23       6.1972     -0.00000
     24       6.3364     -0.00000
     25       6.5429     -0.00000
     26       6.7915     -0.00000
     27       7.0096     -0.00000
     28       7.2512     -0.00000
     29       7.3359     -0.00000
     30       7.5522     -0.00000
     31       7.6482     -0.00000
     32       7.6679     -0.00000
     33       8.3893     -0.00000
     34       8.4542     -0.00000
     35       8.6324     -0.00000
     36       9.0316     -0.00000
     37       9.2872     -0.00000
     38       9.3801     -0.00000
     39       9.6797     -0.00000
     40       9.7696     -0.00000
     41      10.0015      0.00000
     42      10.3077      0.00000
     43      10.4155      0.00000
     44      10.6736      0.00000

 k-point    31 :       0.2857    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.1908      2.00000
      2       1.5286      2.00000
      3       1.6249      2.00000
      4       1.9683      2.00000
      5       2.2462      2.00000
      6       2.2865      2.00000
      7       2.6485      2.00000
      8       2.6543      2.00000
      9       2.7547      2.00000
     10       2.9564      2.00000
     11       3.0734      2.00000
     12       3.2314      2.00000
     13       3.3036      2.00000
     14       3.4281      2.00000
     15       3.6154      2.00000
     16       3.6377      2.00000
     17       3.7518      2.00001
     18       3.8042      2.00003
     19       3.9839      2.00354
     20       4.1563      2.05166
     21       5.5829     -0.00000
     22       5.8692     -0.00000
     23       5.9983     -0.00000
     24       6.0804     -0.00000
     25       6.3714     -0.00000
     26       6.5927     -0.00000
     27       6.9599     -0.00000
     28       6.9813     -0.00000
     29       7.3903     -0.00000
     30       7.5255     -0.00000
     31       7.7356     -0.00000
     32       7.8029     -0.00000
     33       8.3262     -0.00000
     34       8.4730     -0.00000
     35       8.8563     -0.00000
     36       9.1046     -0.00000
     37       9.3497     -0.00000
     38       9.4878     -0.00000
     39       9.7109     -0.00000
     40       9.9343      0.00000
     41      10.2570      0.00000
     42      10.4311      0.00000
     43      10.7236      0.00000
     44      10.9093      0.00000

 k-point    32 :       0.4286    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.2890      2.00000
      2       1.4321      2.00000
      3       1.6296      2.00000
      4       1.7753      2.00000
      5       2.3376      2.00000
      6       2.3972      2.00000
      7       2.4745      2.00000
      8       2.5614      2.00000
      9       2.7522      2.00000
     10       2.8968      2.00000
     11       3.3371      2.00000
     12       3.4225      2.00000
     13       3.5002      2.00000
     14       3.5558      2.00000
     15       3.5599      2.00000
     16       3.6530      2.00000
     17       3.7110      2.00000
     18       3.8743      2.00025
     19       3.9982      2.00476
     20       4.1178      2.03429
     21       5.4520     -0.00000
     22       5.7306     -0.00000
     23       5.7521     -0.00000
     24       5.7737     -0.00000
     25       6.4382     -0.00000
     26       6.5335     -0.00000
     27       6.6706     -0.00000
     28       6.9182     -0.00000
     29       7.4105     -0.00000
     30       7.5438     -0.00000
     31       7.8594     -0.00000
     32       7.9235     -0.00000
     33       8.1168     -0.00000
     34       8.3100     -0.00000
     35       9.1723     -0.00000
     36       9.2713     -0.00000
     37       9.4074     -0.00000
     38       9.5995     -0.00000
     39       9.6662     -0.00000
     40      10.1178      0.00000
     41      10.3791      0.00000
     42      10.3866      0.00000
     43      10.8319      0.00000
     44      11.0334      0.00000

 k-point    33 :       0.0000    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.1865      2.00000
      2       1.2971      2.00000
      3       2.2215      2.00000
      4       2.2700      2.00000
      5       2.2807      2.00000
      6       2.3276      2.00000
      7       2.3854      2.00000
      8       2.4025      2.00000
      9       2.5345      2.00000
     10       2.8753      2.00000
     11       3.1892      2.00000
     12       3.3060      2.00000
     13       3.3208      2.00000
     14       3.4434      2.00000
     15       3.4506      2.00000
     16       3.5118      2.00000
     17       3.6068      2.00000
     18       3.7223      2.00000
     19       3.7266      2.00000
     20       3.9422      2.00139
     21       5.9997     -0.00000
     22       6.0850     -0.00000
     23       6.2705     -0.00000
     24       6.4786     -0.00000
     25       6.5475     -0.00000
     26       6.6799     -0.00000
     27       7.1484     -0.00000
     28       7.2817     -0.00000
     29       7.5537     -0.00000
     30       7.6531     -0.00000
     31       7.9907     -0.00000
     32       8.0470     -0.00000
     33       8.1713     -0.00000
     34       8.3953     -0.00000
     35       8.5060     -0.00000
     36       9.0992     -0.00000
     37       9.1711     -0.00000
     38       9.2410     -0.00000
     39       9.5302     -0.00000
     40       9.6378     -0.00000
     41       9.7796     -0.00000
     42       9.9313      0.00000
     43      10.6796      0.00000
     44      10.9001      0.00000

 k-point    34 :       0.1429    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.2055      2.00000
      2       1.3163      2.00000
      3       1.9457      2.00000
      4       2.0580      2.00000
      5       2.2918      2.00000
      6       2.4223      2.00000
      7       2.5300      2.00000
      8       2.6096      2.00000
      9       2.7320      2.00000
     10       2.9006      2.00000
     11       2.9942      2.00000
     12       3.1340      2.00000
     13       3.2434      2.00000
     14       3.5076      2.00000
     15       3.5188      2.00000
     16       3.6281      2.00000
     17       3.6918      2.00000
     18       3.7098      2.00000
     19       3.8304      2.00007
     20       3.9579      2.00200
     21       5.9462     -0.00000
     22       6.0007     -0.00000
     23       6.0891     -0.00000
     24       6.3014     -0.00000
     25       6.4544     -0.00000
     26       6.6134     -0.00000
     27       7.1251     -0.00000
     28       7.2257     -0.00000
     29       7.5501     -0.00000
     30       7.6752     -0.00000
     31       7.9388     -0.00000
     32       8.1138     -0.00000
     33       8.2304     -0.00000
     34       8.4546     -0.00000
     35       8.6822     -0.00000
     36       9.0671     -0.00000
     37       9.1350     -0.00000
     38       9.2745     -0.00000
     39       9.5579     -0.00000
     40       9.7306     -0.00000
     41       9.8808     -0.00000
     42      10.0849      0.00000
     43      10.6681      0.00000
     44      10.8688      0.00000

 k-point    35 :       0.2857    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.2633      2.00000
      2       1.3748      2.00000
      3       1.6991      2.00000
      4       1.8129      2.00000
      5       2.3510      2.00000
      6       2.4826      2.00000
      7       2.5975      2.00000
      8       2.7783      2.00000
      9       2.8854      2.00000
     10       2.9548      2.00000
     11       3.0363      2.00000
     12       3.0607      2.00000
     13       3.1242      2.00000
     14       3.3586      2.00000
     15       3.7078      2.00000
     16       3.7110      2.00000
     17       3.7818      2.00002
     18       3.8589      2.00016
     19       3.9375      2.00124
     20       3.9969      2.00465
     21       5.6603     -0.00000
     22       5.7910     -0.00000
     23       5.8807     -0.00000
     24       5.8845     -0.00000
     25       6.4471     -0.00000
     26       6.5157     -0.00000
     27       7.0053     -0.00000
     28       7.0080     -0.00000
     29       7.6051     -0.00000
     30       7.7672     -0.00000
     31       7.9286     -0.00000
     32       8.1440     -0.00000
     33       8.2222     -0.00000
     34       8.5529     -0.00000
     35       8.7953     -0.00000
     36       9.1558     -0.00000
     37       9.1636     -0.00000
     38       9.3516     -0.00000
     39       9.7292     -0.00000
     40       9.9611      0.00000
     41      10.0301      0.00000
     42      10.3454      0.00000
     43      10.6221      0.00000
     44      10.9156      0.00000

 k-point    36 :       0.4286    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.3622      2.00000
      2       1.4748      2.00000
      3       1.5060      2.00000
      4       1.6196      2.00000
      5       2.4498      2.00000
      6       2.5822      2.00000
      7       2.5872      2.00000
      8       2.7157      2.00000
      9       2.7266      2.00000
     10       2.8603      2.00000
     11       3.0608      2.00000
     12       3.2013      2.00000
     13       3.4510      2.00000
     14       3.5013      2.00000
     15       3.7263      2.00000
     16       3.7374      2.00000
     17       3.7744      2.00001
     18       3.9276      2.00098
     19       3.9455      2.00150
     20       4.0179      2.00703
     21       5.4633     -0.00000
     22       5.5859     -0.00000
     23       5.6670     -0.00000
     24       5.6831     -0.00000
     25       6.4856     -0.00000
     26       6.5238     -0.00000
     27       6.7560     -0.00000
     28       6.8679     -0.00000
     29       7.6613     -0.00000
     30       7.8574     -0.00000
     31       7.8689     -0.00000
     32       8.0705     -0.00000
     33       8.2901     -0.00000
     34       8.6706     -0.00000
     35       8.8211     -0.00000
     36       9.0680     -0.00000
     37       9.3245     -0.00000
     38       9.4429     -0.00000
     39       9.8164     -0.00000
     40      10.0785      0.00000
     41      10.2495      0.00000
     42      10.4965      0.00000
     43      10.6231      0.00000
     44      10.8380      0.00000

 k-point    37 :       0.0000    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.1999      2.00000
      2       1.7885      2.00000
      3       1.8323      2.00000
      4       2.0403      2.00000
      5       2.2397      2.00000
      6       2.2893      2.00000
      7       2.4942      2.00000
      8       2.7378      2.00000
      9       2.7667      2.00000
     10       2.8552      2.00000
     11       2.8615      2.00000
     12       2.9067      2.00000
     13       3.0793      2.00000
     14       3.1049      2.00000
     15       3.4177      2.00000
     16       3.4276      2.00000
     17       3.6034      2.00000
     18       3.6163      2.00000
     19       3.6735      2.00000
     20       4.3647      1.73855
     21       6.1191     -0.00000
     22       6.4643     -0.00000
     23       6.5228     -0.00000
     24       7.0682     -0.00000
     25       7.1588     -0.00000
     26       7.2347     -0.00000
     27       7.2367     -0.00000
     28       7.3127     -0.00000
     29       7.4334     -0.00000
     30       7.5291     -0.00000
     31       7.5811     -0.00000
     32       7.8726     -0.00000
     33       8.1353     -0.00000
     34       8.2010     -0.00000
     35       8.5855     -0.00000
     36       9.2071     -0.00000
     37       9.3537     -0.00000
     38       9.3725     -0.00000
     39       9.4803     -0.00000
     40       9.5248     -0.00000
     41       9.6635     -0.00000
     42       9.7287     -0.00000
     43      10.0144      0.00000
     44      10.6822      0.00000

 k-point    38 :       0.1429    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.2188      2.00000
      2       1.8071      2.00000
      3       1.8531      2.00000
      4       1.9602      2.00000
      5       2.0607      2.00000
      6       2.4989      2.00000
      7       2.5173      2.00000
      8       2.6016      2.00000
      9       2.6334      2.00000
     10       2.7943      2.00000
     11       2.7979      2.00000
     12       3.1231      2.00000
     13       3.1892      2.00000
     14       3.2113      2.00000
     15       3.3903      2.00000
     16       3.4300      2.00000
     17       3.6059      2.00000
     18       3.7293      2.00000
     19       3.7819      2.00002
     20       4.3654      1.73467
     21       6.0581     -0.00000
     22       6.1816     -0.00000
     23       6.4022     -0.00000
     24       6.8082     -0.00000
     25       6.8942     -0.00000
     26       7.1342     -0.00000
     27       7.2623     -0.00000
     28       7.2713     -0.00000
     29       7.3998     -0.00000
     30       7.6125     -0.00000
     31       7.6188     -0.00000
     32       7.8451     -0.00000
     33       8.3125     -0.00000
     34       8.4410     -0.00000
     35       8.6500     -0.00000
     36       9.0626     -0.00000
     37       9.1922     -0.00000
     38       9.4168     -0.00000
     39       9.5477     -0.00000
     40       9.6819     -0.00000
     41       9.8911     -0.00000
     42       9.8913     -0.00000
     43      10.2715      0.00000
     44      10.6316      0.00000

 k-point    39 :       0.2857    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.2765      2.00000
      2       1.7128      2.00000
      3       1.8638      2.00000
      4       1.9153      2.00000
      5       2.1215      2.00000
      6       2.2882      2.00000
      7       2.3637      2.00000
      8       2.5616      2.00000
      9       2.5667      2.00000
     10       2.8270      2.00000
     11       2.9706      2.00000
     12       3.0670      2.00000
     13       3.2613      2.00000
     14       3.4315      2.00000
     15       3.5101      2.00000
     16       3.6806      2.00000
     17       3.7118      2.00000
     18       3.8199      2.00005
     19       3.9336      2.00113
     20       4.3458      1.83349
     21       5.7380     -0.00000
     22       5.9066     -0.00000
     23       6.1057     -0.00000
     24       6.2965     -0.00000
     25       6.8114     -0.00000
     26       6.8236     -0.00000
     27       6.8925     -0.00000
     28       7.2283     -0.00000
     29       7.4811     -0.00000
     30       7.7011     -0.00000
     31       7.7435     -0.00000
     32       7.8905     -0.00000
     33       8.2162     -0.00000
     34       8.4277     -0.00000
     35       9.0577     -0.00000
     36       9.1667     -0.00000
     37       9.3512     -0.00000
     38       9.4271     -0.00000
     39       9.6099     -0.00000
     40       9.9599      0.00000
     41      10.2136      0.00000
     42      10.2622      0.00000
     43      10.4348      0.00000
     44      10.7658      0.00000

 k-point    40 :       0.4286    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.3754      2.00000
      2       1.5193      2.00000
      3       1.9604      2.00000
      4       2.0181      2.00000
      5       2.1013      2.00000
      6       2.1679      2.00000
      7       2.2315      2.00000
      8       2.3770      2.00000
      9       2.6570      2.00000
     10       2.7927      2.00000
     11       2.9420      2.00000
     12       3.0762      2.00000
     13       3.5013      2.00000
     14       3.6631      2.00000
     15       3.6974      2.00000
     16       3.7325      2.00000
     17       3.8286      2.00007
     18       3.8946      2.00042
     19       4.0203      2.00737
     20       4.2462      2.06437
     21       5.5657     -0.00000
     22       5.7721     -0.00000
     23       5.7931     -0.00000
     24       5.9151     -0.00000
     25       6.6228     -0.00000
     26       6.6530     -0.00000
     27       6.8531     -0.00000
     28       7.1162     -0.00000
     29       7.5313     -0.00000
     30       7.6453     -0.00000
     31       7.8478     -0.00000
     32       7.9933     -0.00000
     33       8.0185     -0.00000
     34       8.3347     -0.00000
     35       9.2801     -0.00000
     36       9.4147     -0.00000
     37       9.4315     -0.00000
     38       9.5709     -0.00000
     39       9.7330     -0.00000
     40      10.1742      0.00000
     41      10.1800      0.00000
     42      10.3766      0.00000
     43      10.8239      0.00000
     44      11.1213      0.00000

 k-point    41 :       0.0000    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.2367      2.00000
      2       1.5846      2.00000
      3       1.8748      2.00000
      4       2.2497      2.00000
      5       2.2958      2.00000
      6       2.3285      2.00000
      7       2.3364      2.00000
      8       2.5914      2.00000
      9       2.6886      2.00000
     10       2.8976      2.00000
     11       2.9424      2.00000
     12       3.0755      2.00000
     13       3.2484      2.00000
     14       3.2725      2.00000
     15       3.2745      2.00000
     16       3.3271      2.00000
     17       3.4580      2.00000
     18       3.6763      2.00000
     19       3.6906      2.00000
     20       4.1563      2.05166
     21       6.1324     -0.00000
     22       6.3745     -0.00000
     23       6.5069     -0.00000
     24       6.7967     -0.00000
     25       6.9850     -0.00000
     26       7.1044     -0.00000
     27       7.3881     -0.00000
     28       7.5280     -0.00000
     29       7.5569     -0.00000
     30       7.5996     -0.00000
     31       7.6399     -0.00000
     32       8.1014     -0.00000
     33       8.1935     -0.00000
     34       8.2028     -0.00000
     35       8.7888     -0.00000
     36       9.0593     -0.00000
     37       9.2984     -0.00000
     38       9.4147     -0.00000
     39       9.4823     -0.00000
     40       9.6110     -0.00000
     41       9.9063     -0.00000
     42      10.0468      0.00000
     43      10.0588      0.00000
     44      10.7301      0.00000

 k-point    42 :       0.1429    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.2557      2.00000
      2       1.6042      2.00000
      3       1.8945      2.00000
      4       1.9980      2.00000
      5       2.2855      2.00000
      6       2.3346      2.00000
      7       2.3662      2.00000
      8       2.6356      2.00000
      9       2.6627      2.00000
     10       2.9764      2.00000
     11       3.0015      2.00000
     12       3.0497      2.00000
     13       3.1131      2.00000
     14       3.2570      2.00000
     15       3.3912      2.00000
     16       3.5404      2.00000
     17       3.5641      2.00000
     18       3.6334      2.00000
     19       3.7364      2.00000
     20       4.1638      2.05503
     21       6.0562     -0.00000
     22       6.1111     -0.00000
     23       6.4142     -0.00000
     24       6.6203     -0.00000
     25       6.7701     -0.00000
     26       7.0536     -0.00000
     27       7.2866     -0.00000
     28       7.3716     -0.00000
     29       7.5532     -0.00000
     30       7.7091     -0.00000
     31       7.7575     -0.00000
     32       8.1687     -0.00000
     33       8.3115     -0.00000
     34       8.3994     -0.00000
     35       8.7121     -0.00000
     36       9.0869     -0.00000
     37       9.1599     -0.00000
     38       9.5434     -0.00000
     39       9.5611     -0.00000
     40       9.6455     -0.00000
     41      10.0477      0.00000
     42      10.1937      0.00000
     43      10.2200      0.00000
     44      10.7052      0.00000

 k-point    43 :       0.2857    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.3137      2.00000
      2       1.6636      2.00000
      3       1.7509      2.00000
      4       1.9541      2.00000
      5       2.1027      2.00000
      6       2.3458      2.00000
      7       2.3758      2.00000
      8       2.4411      2.00000
      9       2.7773      2.00000
     10       2.8412      2.00000
     11       3.0309      2.00000
     12       3.1967      2.00000
     13       3.3312      2.00000
     14       3.4197      2.00000
     15       3.5183      2.00000
     16       3.5530      2.00000
     17       3.6964      2.00000
     18       3.7692      2.00001
     19       3.8615      2.00017
     20       4.1717      2.05851
     21       5.6811     -0.00000
     22       5.8574     -0.00000
     23       6.0854     -0.00000
     24       6.0952     -0.00000
     25       6.7883     -0.00000
     26       6.8691     -0.00000
     27       7.0084     -0.00000
     28       7.4677     -0.00000
     29       7.5208     -0.00000
     30       7.7125     -0.00000
     31       7.8313     -0.00000
     32       8.1109     -0.00000
     33       8.2643     -0.00000
     34       8.6048     -0.00000
     35       8.9402     -0.00000
     36       9.1806     -0.00000
     37       9.3032     -0.00000
     38       9.6162     -0.00000
     39       9.6510     -0.00000
     40       9.7959     -0.00000
     41      10.1973      0.00000
     42      10.3687      0.00000
     43      10.5234      0.00000
     44      10.7990      0.00000

 k-point    44 :       0.4286    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.4129      2.00000
      2       1.5572      2.00000
      3       1.7644      2.00000
      4       1.9095      2.00000
      5       2.0566      2.00000
      6       2.2006      2.00000
      7       2.4463      2.00000
      8       2.5257      2.00000
      9       2.5936      2.00000
     10       2.6663      2.00000
     11       3.2019      2.00000
     12       3.3078      2.00000
     13       3.5019      2.00000
     14       3.5883      2.00000
     15       3.6177      2.00000
     16       3.6631      2.00000
     17       3.7121      2.00000
     18       3.8707      2.00022
     19       3.9851      2.00363
     20       4.1330      2.04093
     21       5.4771     -0.00000
     22       5.6701     -0.00000
     23       5.7247     -0.00000
     24       5.7295     -0.00000
     25       6.7503     -0.00000
     26       6.8204     -0.00000
     27       6.8441     -0.00000
     28       7.4907     -0.00000
     29       7.5648     -0.00000
     30       7.6543     -0.00000
     31       7.9095     -0.00000
     32       8.0494     -0.00000
     33       8.0505     -0.00000
     34       8.6265     -0.00000
     35       9.2484     -0.00000
     36       9.3660     -0.00000
     37       9.5015     -0.00000
     38       9.6275     -0.00000
     39       9.6610     -0.00000
     40       9.9629      0.00000
     41      10.2570      0.00000
     42      10.3943      0.00000
     43      10.6536      0.00000
     44      10.8206      0.00000

 k-point    45 :       0.0000    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.3115      2.00000
      2       1.4265      2.00000
      3       1.9603      2.00000
      4       2.0898      2.00000
      5       2.3494      2.00000
      6       2.4067      2.00000
      7       2.4541      2.00000
      8       2.5174      2.00000
      9       2.6867      2.00000
     10       2.9823      2.00000
     11       3.0104      2.00000
     12       3.0395      2.00000
     13       3.1026      2.00000
     14       3.2014      2.00000
     15       3.4407      2.00000
     16       3.4752      2.00000
     17       3.5290      2.00000
     18       3.6462      2.00000
     19       3.6627      2.00000
     20       3.8281      2.00007
     21       6.2197     -0.00000
     22       6.3307     -0.00000
     23       6.5642     -0.00000
     24       6.6198     -0.00000
     25       6.7351     -0.00000
     26       6.7684     -0.00000
     27       7.4868     -0.00000
     28       7.5415     -0.00000
     29       7.7821     -0.00000
     30       7.8068     -0.00000
     31       7.8910     -0.00000
     32       7.9881     -0.00000
     33       8.5105     -0.00000
     34       8.5153     -0.00000
     35       8.7004     -0.00000
     36       9.1316     -0.00000
     37       9.1729     -0.00000
     38       9.2796     -0.00000
     39       9.5336     -0.00000
     40       9.6726     -0.00000
     41       9.7673     -0.00000
     42      10.0582      0.00000
     43      10.5531      0.00000
     44      10.7635      0.00000

 k-point    46 :       0.1429    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.3307      2.00000
      2       1.4459      2.00000
      3       1.9802      2.00000
      4       2.0734      2.00000
      5       2.1113      2.00000
      6       2.1896      2.00000
      7       2.6612      2.00000
      8       2.7257      2.00000
      9       2.7488      2.00000
     10       2.8463      2.00000
     11       2.8589      2.00000
     12       3.0790      2.00000
     13       3.2681      2.00000
     14       3.3800      2.00000
     15       3.3898      2.00000
     16       3.4873      2.00000
     17       3.6018      2.00000
     18       3.6575      2.00000
     19       3.6897      2.00000
     20       3.8431      2.00010
     21       6.1148     -0.00000
     22       6.1443     -0.00000
     23       6.2950     -0.00000
     24       6.3741     -0.00000
     25       6.7693     -0.00000
     26       6.8749     -0.00000
     27       7.3630     -0.00000
     28       7.3746     -0.00000
     29       7.7659     -0.00000
     30       7.8542     -0.00000
     31       7.9804     -0.00000
     32       8.1580     -0.00000
     33       8.4624     -0.00000
     34       8.6291     -0.00000
     35       8.7192     -0.00000
     36       9.1688     -0.00000
     37       9.2464     -0.00000
     38       9.2730     -0.00000
     39       9.5971     -0.00000
     40       9.7889     -0.00000
     41       9.8593     -0.00000
     42      10.1215      0.00000
     43      10.5491      0.00000
     44      10.7094      0.00000

 k-point    47 :       0.2857    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.3891      2.00000
      2       1.5049      2.00000
      3       1.8277      2.00000
      4       1.9443      2.00000
      5       2.0411      2.00000
      6       2.1710      2.00000
      7       2.4768      2.00000
      8       2.6088      2.00000
      9       2.7645      2.00000
     10       3.0721      2.00000
     11       3.1336      2.00000
     12       3.1759      2.00000
     13       3.2324      2.00000
     14       3.4056      2.00000
     15       3.5561      2.00000
     16       3.6158      2.00000
     17       3.6408      2.00000
     18       3.7768      2.00001
     19       3.7829      2.00002
     20       3.8871      2.00035
     21       5.7116     -0.00000
     22       5.8271     -0.00000
     23       5.9130     -0.00000
     24       5.9743     -0.00000
     25       6.8263     -0.00000
     26       6.8564     -0.00000
     27       7.1720     -0.00000
     28       7.3273     -0.00000
     29       7.7658     -0.00000
     30       7.8709     -0.00000
     31       7.9714     -0.00000
     32       8.2192     -0.00000
     33       8.4476     -0.00000
     34       8.6929     -0.00000
     35       8.9002     -0.00000
     36       9.2574     -0.00000
     37       9.3432     -0.00000
     38       9.4198     -0.00000
     39       9.7107     -0.00000
     40       9.9268      0.00000
     41      10.0286      0.00000
     42      10.3130      0.00000
     43      10.5240      0.00000
     44      10.8190      0.00000

 k-point    48 :       0.4286    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.4889      2.00000
      2       1.6054      2.00000
      3       1.6339      2.00000
      4       1.7510      2.00000
      5       2.1424      2.00000
      6       2.2727      2.00000
      7       2.2885      2.00000
      8       2.4205      2.00000
      9       2.8586      2.00000
     10       2.9884      2.00000
     11       3.1972      2.00000
     12       3.3010      2.00000
     13       3.4644      2.00000
     14       3.5530      2.00000
     15       3.5806      2.00000
     16       3.6869      2.00000
     17       3.7040      2.00000
     18       3.8668      2.00020
     19       3.8794      2.00028
     20       3.9465      2.00154
     21       5.4505     -0.00000
     22       5.5321     -0.00000
     23       5.6139     -0.00000
     24       5.6475     -0.00000
     25       6.8236     -0.00000
     26       6.8513     -0.00000
     27       7.0723     -0.00000
     28       7.3339     -0.00000
     29       7.8039     -0.00000
     30       7.8921     -0.00000
     31       7.9243     -0.00000
     32       8.0578     -0.00000
     33       8.4479     -0.00000
     34       8.9156     -0.00000
     35       8.9608     -0.00000
     36       9.1924     -0.00000
     37       9.4950     -0.00000
     38       9.5572     -0.00000
     39       9.7568     -0.00000
     40       9.9224     -0.00000
     41      10.1953      0.00000
     42      10.4841      0.00000
     43      10.5953      0.00000
     44      10.8496      0.00000

 k-point    49 :       0.0000    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.3637      2.00000
      2       1.5736      2.00000
      3       1.9765      2.00000
      4       2.2050      2.00000
      5       2.2334      2.00000
      6       2.3955      2.00000
      7       2.4453      2.00000
      8       2.5198      2.00000
      9       2.6227      2.00000
     10       2.6485      2.00000
     11       2.9670      2.00000
     12       3.0371      2.00000
     13       3.1772      2.00000
     14       3.1977      2.00000
     15       3.2249      2.00000
     16       3.2415      2.00000
     17       3.3863      2.00000
     18       3.4104      2.00000
     19       3.9153      2.00072
     20       4.1897      2.06539
     21       6.3706     -0.00000
     22       6.5851     -0.00000
     23       6.8340     -0.00000
     24       7.1217     -0.00000
     25       7.2199     -0.00000
     26       7.2388     -0.00000
     27       7.2421     -0.00000
     28       7.3888     -0.00000
     29       7.7443     -0.00000
     30       7.7829     -0.00000
     31       7.7955     -0.00000
     32       8.0531     -0.00000
     33       8.2126     -0.00000
     34       8.4389     -0.00000
     35       8.7136     -0.00000
     36       9.0743     -0.00000
     37       9.1601     -0.00000
     38       9.3634     -0.00000
     39       9.4742     -0.00000
     40       9.4772     -0.00000
     41       9.5037     -0.00000
     42       9.6444     -0.00000
     43       9.6558     -0.00000
     44       9.9269      0.00000

 k-point    50 :       0.1429    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.3829      2.00000
      2       1.5930      2.00000
      3       1.9962      2.00000
      4       2.1213      2.00000
      5       2.2368      2.00000
      6       2.2466      2.00000
      7       2.3491      2.00000
      8       2.4976      2.00000
      9       2.7189      2.00000
     10       2.7942      2.00000
     11       2.9201      2.00000
     12       2.9478      2.00000
     13       3.0351      2.00000
     14       3.1817      2.00000
     15       3.3072      2.00000
     16       3.4770      2.00000
     17       3.4787      2.00000
     18       3.6081      2.00000
     19       3.9402      2.00133
     20       4.2003      2.06844
     21       6.2247     -0.00000
     22       6.2947     -0.00000
     23       6.6270     -0.00000
     24       6.7738     -0.00000
     25       7.0826     -0.00000
     26       7.1074     -0.00000
     27       7.2834     -0.00000
     28       7.3406     -0.00000
     29       7.7182     -0.00000
     30       7.7400     -0.00000
     31       8.0459     -0.00000
     32       8.2773     -0.00000
     33       8.3180     -0.00000
     34       8.6010     -0.00000
     35       8.6966     -0.00000
     36       8.9902     -0.00000
     37       9.0287     -0.00000
     38       9.3301     -0.00000
     39       9.3809     -0.00000
     40       9.6368     -0.00000
     41       9.7033     -0.00000
     42       9.7630     -0.00000
     43       9.9457      0.00000
     44      10.1287      0.00000

 k-point    51 :       0.2857    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.4413      2.00000
      2       1.6518      2.00000
      3       1.8797      2.00000
      4       2.0484      2.00000
      5       2.0984      2.00000
      6       2.2917      2.00000
      7       2.3206      2.00000
      8       2.4914      2.00000
      9       2.5564      2.00000
     10       2.7154      2.00000
     11       2.7389      2.00000
     12       2.9589      2.00000
     13       3.2221      2.00000
     14       3.3587      2.00000
     15       3.5907      2.00000
     16       3.6985      2.00000
     17       3.7284      2.00000
     18       3.7760      2.00001
     19       4.0079      2.00579
     20       4.2158      2.07081
     21       5.8379     -0.00000
     22       5.8982     -0.00000
     23       6.1731     -0.00000
     24       6.2439     -0.00000
     25       6.9539     -0.00000
     26       7.0084     -0.00000
     27       7.0825     -0.00000
     28       7.1829     -0.00000
     29       7.7409     -0.00000
     30       7.7703     -0.00000
     31       8.1415     -0.00000
     32       8.1788     -0.00000
     33       8.4541     -0.00000
     34       8.8400     -0.00000
     35       8.9988     -0.00000
     36       9.0021     -0.00000
     37       9.1407     -0.00000
     38       9.3631     -0.00000
     39       9.3650     -0.00000
     40       9.7043     -0.00000
     41      10.0293      0.00000
     42      10.0725      0.00000
     43      10.3594      0.00000
     44      10.5614      0.00000

 k-point    52 :       0.4286    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.5412      2.00000
      2       1.6861      2.00000
      3       1.7520      2.00000
      4       1.8962      2.00000
      5       2.1600      2.00000
      6       2.3041      2.00000
      7       2.3897      2.00000
      8       2.4192      2.00000
      9       2.5308      2.00000
     10       2.5607      2.00000
     11       2.6586      2.00000
     12       2.7959      2.00000
     13       3.5863      2.00000
     14       3.6499      2.00000
     15       3.7395      2.00000
     16       3.7639      2.00001
     17       3.9045      2.00055
     18       3.9723      2.00276
     19       4.0175      2.00698
     20       4.1663      2.05616
     21       5.6033     -0.00000
     22       5.6832     -0.00000
     23       5.7738     -0.00000
     24       5.8250     -0.00000
     25       6.8539     -0.00000
     26       6.8979     -0.00000
     27       6.9634     -0.00000
     28       7.0795     -0.00000
     29       7.8019     -0.00000
     30       7.8455     -0.00000
     31       7.9612     -0.00000
     32       7.9815     -0.00000
     33       8.6135     -0.00000
     34       8.8841     -0.00000
     35       9.1757     -0.00000
     36       9.1896     -0.00000
     37       9.3322     -0.00000
     38       9.3497     -0.00000
     39       9.4519     -0.00000
     40       9.6423     -0.00000
     41      10.3332      0.00000
     42      10.5509      0.00000
     43      10.6139      0.00000
     44      10.9298      0.00000

 k-point    53 :       0.0000    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.4024      2.00000
      2       1.6143      2.00000
      3       1.7656      2.00000
      4       1.9924      2.00000
      5       2.4456      2.00000
      6       2.4858      2.00000
      7       2.5182      2.00000
      8       2.6530      2.00000
      9       2.7094      2.00000
     10       2.8104      2.00000
     11       2.8140      2.00000
     12       2.8578      2.00000
     13       3.0109      2.00000
     14       3.0541      2.00000
     15       3.3810      2.00000
     16       3.4291      2.00000
     17       3.5214      2.00000
     18       3.5486      2.00000
     19       3.6812      2.00000
     20       3.9458      2.00152
     21       6.4092     -0.00000
     22       6.5605     -0.00000
     23       6.6228     -0.00000
     24       6.8413     -0.00000
     25       7.2613     -0.00000
     26       7.2942     -0.00000
     27       7.4836     -0.00000
     28       7.5418     -0.00000
     29       7.6275     -0.00000
     30       7.6304     -0.00000
     31       7.7803     -0.00000
     32       7.9860     -0.00000
     33       8.3582     -0.00000
     34       8.7021     -0.00000
     35       8.8378     -0.00000
     36       9.0575     -0.00000
     37       9.2223     -0.00000
     38       9.2418     -0.00000
     39       9.5226     -0.00000
     40       9.7080     -0.00000
     41       9.8109     -0.00000
     42       9.8403     -0.00000
     43       9.8474     -0.00000
     44      10.1709      0.00000

 k-point    54 :       0.1429    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.4217      2.00000
      2       1.6338      2.00000
      3       1.7855      2.00000
      4       2.0116      2.00000
      5       2.1686      2.00000
      6       2.3693      2.00000
      7       2.5233      2.00000
      8       2.5770      2.00000
      9       2.7290      2.00000
     10       2.7739      2.00000
     11       2.9012      2.00000
     12       3.0135      2.00000
     13       3.1442      2.00000
     14       3.2304      2.00000
     15       3.3085      2.00000
     16       3.4048      2.00000
     17       3.5948      2.00000
     18       3.6555      2.00000
     19       3.7152      2.00000
     20       3.9614      2.00217
     21       6.2265     -0.00000
     22       6.2348     -0.00000
     23       6.5364     -0.00000
     24       6.6048     -0.00000
     25       7.0847     -0.00000
     26       7.0966     -0.00000
     27       7.4738     -0.00000
     28       7.5084     -0.00000
     29       7.7365     -0.00000
     30       7.8361     -0.00000
     31       7.9255     -0.00000
     32       8.0801     -0.00000
     33       8.4075     -0.00000
     34       8.6681     -0.00000
     35       8.8385     -0.00000
     36       9.0697     -0.00000
     37       9.1495     -0.00000
     38       9.3001     -0.00000
     39       9.6326     -0.00000
     40       9.7332     -0.00000
     41       9.7631     -0.00000
     42       9.9713      0.00000
     43      10.1603      0.00000
     44      10.3088      0.00000

 k-point    55 :       0.2857    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.4804      2.00000
      2       1.6928      2.00000
      3       1.8456      2.00000
      4       1.9192      2.00000
      5       2.0750      2.00000
      6       2.1317      2.00000
      7       2.2886      2.00000
      8       2.5118      2.00000
      9       2.6248      2.00000
     10       2.8584      2.00000
     11       3.0028      2.00000
     12       3.1716      2.00000
     13       3.2930      2.00000
     14       3.3855      2.00000
     15       3.4942      2.00000
     16       3.5778      2.00000
     17       3.7202      2.00000
     18       3.7489      2.00001
     19       3.8276      2.00006
     20       4.0018      2.00512
     21       5.7796     -0.00000
     22       5.8542     -0.00000
     23       6.0794     -0.00000
     24       6.0850     -0.00000
     25       7.0729     -0.00000
     26       7.0925     -0.00000
     27       7.2544     -0.00000
     28       7.4132     -0.00000
     29       7.7839     -0.00000
     30       7.8418     -0.00000
     31       8.1072     -0.00000
     32       8.2035     -0.00000
     33       8.3994     -0.00000
     34       8.7618     -0.00000
     35       8.9471     -0.00000
     36       9.1341     -0.00000
     37       9.2120     -0.00000
     38       9.3810     -0.00000
     39       9.6751     -0.00000
     40       9.8691     -0.00000
     41       9.8996     -0.00000
     42      10.1029      0.00000
     43      10.5010      0.00000
     44      10.7142      0.00000

 k-point    56 :       0.4286    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.5806      2.00000
      2       1.7259      2.00000
      3       1.7930      2.00000
      4       1.9308      2.00000
      5       1.9562      2.00000
      6       2.0965      2.00000
      7       2.1755      2.00000
      8       2.3227      2.00000
      9       2.7178      2.00000
     10       2.8483      2.00000
     11       2.9498      2.00000
     12       3.0695      2.00000
     13       3.5871      2.00000
     14       3.6407      2.00000
     15       3.6796      2.00000
     16       3.7053      2.00000
     17       3.7814      2.00002
     18       3.8953      2.00043
     19       3.9012      2.00050
     20       4.0194      2.00724
     21       5.5067     -0.00000
     22       5.5756     -0.00000
     23       5.6662     -0.00000
     24       5.6746     -0.00000
     25       7.0647     -0.00000
     26       7.1130     -0.00000
     27       7.1210     -0.00000
     28       7.3636     -0.00000
     29       7.7973     -0.00000
     30       7.8679     -0.00000
     31       8.0381     -0.00000
     32       8.0528     -0.00000
     33       8.4277     -0.00000
     34       8.9866     -0.00000
     35       9.0570     -0.00000
     36       9.2981     -0.00000
     37       9.3362     -0.00000
     38       9.4855     -0.00000
     39       9.5302     -0.00000
     40       9.7616     -0.00000
     41      10.1182      0.00000
     42      10.3345      0.00000
     43      10.6358      0.00000
     44      10.8804      0.00000

 k-point    57 :       0.0000    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.4808      2.00000
      2       1.6011      2.00000
      3       1.6966      2.00000
      4       1.8221      2.00000
      5       2.5197      2.00000
      6       2.5658      2.00000
      7       2.6200      2.00000
      8       2.6727      2.00000
      9       2.7325      2.00000
     10       2.7796      2.00000
     11       2.8574      2.00000
     12       2.8861      2.00000
     13       2.9595      2.00000
     14       3.1878      2.00000
     15       3.3187      2.00000
     16       3.5089      2.00000
     17       3.5634      2.00000
     18       3.6010      2.00000
     19       3.6023      2.00000
     20       3.6036      2.00000
     21       6.4572     -0.00000
     22       6.4976     -0.00000
     23       6.5524     -0.00000
     24       6.6351     -0.00000
     25       7.0897     -0.00000
     26       7.1153     -0.00000
     27       7.4509     -0.00000
     28       7.5134     -0.00000
     29       7.9203     -0.00000
     30       7.9406     -0.00000
     31       7.9665     -0.00000
     32       7.9981     -0.00000
     33       8.5069     -0.00000
     34       8.6942     -0.00000
     35       8.8087     -0.00000
     36       8.9388     -0.00000
     37       9.2527     -0.00000
     38       9.3883     -0.00000
     39       9.4237     -0.00000
     40       9.5376     -0.00000
     41      10.2102      0.00000
     42      10.3380      0.00000
     43      10.3885      0.00000
     44      10.5460      0.00000

 k-point    58 :       0.1429    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.5003      2.00000
      2       1.6207      2.00000
      3       1.7164      2.00000
      4       1.8419      2.00000
      5       2.2467      2.00000
      6       2.3643      2.00000
      7       2.4606      2.00000
      8       2.5827      2.00000
      9       2.8842      2.00000
     10       2.8931      2.00000
     11       3.0040      2.00000
     12       3.1320      2.00000
     13       3.1351      2.00000
     14       3.2348      2.00000
     15       3.3691      2.00000
     16       3.4309      2.00000
     17       3.5643      2.00000
     18       3.6103      2.00000
     19       3.6110      2.00000
     20       3.6343      2.00000
     21       6.2449     -0.00000
     22       6.2544     -0.00000
     23       6.3765     -0.00000
     24       6.3974     -0.00000
     25       7.1165     -0.00000
     26       7.1532     -0.00000
     27       7.4303     -0.00000
     28       7.4758     -0.00000
     29       7.9398     -0.00000
     30       7.9512     -0.00000
     31       8.0091     -0.00000
     32       8.0620     -0.00000
     33       8.6198     -0.00000
     34       8.6637     -0.00000
     35       8.8268     -0.00000
     36       9.0579     -0.00000
     37       9.2865     -0.00000
     38       9.3503     -0.00000
     39       9.5163     -0.00000
     40       9.6031     -0.00000
     41      10.2172      0.00000
     42      10.3304      0.00000
     43      10.4838      0.00000
     44      10.6544      0.00000

 k-point    59 :       0.2857    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.5594      2.00000
      2       1.6802      2.00000
      3       1.7762      2.00000
      4       1.9014      2.00000
      5       2.0020      2.00000
      6       2.1217      2.00000
      7       2.2194      2.00000
      8       2.3447      2.00000
      9       2.9601      2.00000
     10       3.1424      2.00000
     11       3.2434      2.00000
     12       3.2558      2.00000
     13       3.3581      2.00000
     14       3.3971      2.00000
     15       3.4838      2.00000
     16       3.4993      2.00000
     17       3.5602      2.00000
     18       3.6530      2.00000
     19       3.6618      2.00000
     20       3.7020      2.00000
     21       5.7887     -0.00000
     22       5.8511     -0.00000
     23       5.9120     -0.00000
     24       5.9543     -0.00000
     25       7.1880     -0.00000
     26       7.2017     -0.00000
     27       7.4069     -0.00000
     28       7.4816     -0.00000
     29       7.8865     -0.00000
     30       7.9211     -0.00000
     31       7.9988     -0.00000
     32       8.1665     -0.00000
     33       8.7072     -0.00000
     34       8.7350     -0.00000
     35       8.9429     -0.00000
     36       9.1636     -0.00000
     37       9.3420     -0.00000
     38       9.3623     -0.00000
     39       9.5935     -0.00000
     40       9.6514     -0.00000
     41      10.3089      0.00000
     42      10.4390      0.00000
     43      10.6147      0.00000
     44      10.8175      0.00000

 k-point    60 :       0.4286    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.6602      2.00000
      2       1.7811      2.00000
      3       1.8061      2.00000
      4       1.8759      2.00000
      5       1.9304      2.00000
      6       2.0049      2.00000
      7       2.0260      2.00000
      8       2.1524      2.00000
      9       3.0450      2.00000
     10       3.1529      2.00000
     11       3.2442      2.00000
     12       3.2972      2.00000
     13       3.4572      2.00000
     14       3.4946      2.00000
     15       3.5445      2.00000
     16       3.6183      2.00000
     17       3.7157      2.00000
     18       3.7940      2.00002
     19       3.8224      2.00006
     20       3.8301      2.00007
     21       5.4647     -0.00000
     22       5.5139     -0.00000
     23       5.5323     -0.00000
     24       5.5685     -0.00000
     25       7.2159     -0.00000
     26       7.2456     -0.00000
     27       7.3985     -0.00000
     28       7.5334     -0.00000
     29       7.8651     -0.00000
     30       7.9209     -0.00000
     31       7.9522     -0.00000
     32       8.1007     -0.00000
     33       8.6499     -0.00000
     34       8.9217     -0.00000
     35       9.0945     -0.00000
     36       9.1379     -0.00000
     37       9.3910     -0.00000
     38       9.4411     -0.00000
     39       9.5336     -0.00000
     40       9.5983     -0.00000
     41      10.4064      0.00000
     42      10.5745      0.00000
     43      10.7155      0.00000
     44      10.9046      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
  1.204   5.375  -0.004   0.012   0.004
  5.375  22.972  -0.014   0.044   0.015
 -0.004  -0.014  -0.240  -0.001   0.002
  0.012   0.044  -0.001  -0.249  -0.000
  0.004   0.015   0.002  -0.000  -0.241
 total augmentation occupancy for first ion, spin component:           1
  2.390  -0.037   0.038  -0.112  -0.039
 -0.037   0.001  -0.002   0.003   0.002
  0.038  -0.002   0.221  -0.007   0.011
 -0.112   0.003  -0.007   0.139   0.002
 -0.039   0.002   0.011   0.002   0.209


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


    CHARGE:  cpu time    0.1647: real time    0.1647
    FORLOC:  cpu time    0.0099: real time    0.0099
    FORNL :  cpu time   13.4355: real time   13.4368
    STRESS:  cpu time    5.4483: real time    5.4488
    FORCOR:  cpu time    0.0306: real time    0.0306
    FORHAR:  cpu time    0.0215: real time    0.0215
    MIXING:  cpu time    0.0049: real time    0.0049
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    14.67185    14.67185    14.67185
  Ewald    -143.47708  -148.58496  -130.82142     0.00000     0.00000    -0.00000
  Hartree     1.18517     0.69109     1.05960    -0.00000    -0.00000     0.00000
  E(xc)    -108.54461  -108.98475  -107.80364     0.00000     0.00000    -0.00000
  Local       7.66848     2.24583    11.56348     0.00000     0.00000    -0.00000
  n-local   130.54094   131.17589   128.16160     0.01937     0.07449    -0.21268
  augment     7.40044     7.55004     7.08065    -0.00000    -0.00000     0.00000
  Kinetic   215.57192   225.90838   200.80164     0.07456    -1.13538    -0.89854
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     125.01712   124.67337   124.71377     0.00000     0.00000     0.00000
  in kB     701.12243   699.19465   699.42120     0.00000     0.00000     0.00000
  external pressure =       -0.09 kB  Pullay stress =      700.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      650.00
  volume of cell :      285.68
      direct lattice vectors                 reciprocal lattice vectors
     6.887867809  0.000000000  0.000000000     0.145182810  0.000000000  0.000000000
     0.000000000  8.169175765  0.000000000     0.000000000  0.122411370  0.000000000
     0.000000000  0.000000000  5.077186918     0.000000000  0.000000000  0.196959461

  length of vectors
     6.887867809  8.169175765  5.077186918     0.145182810  0.122411370  0.196959461


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.280E-01 0.969E-01 -.265E+00   -.446E+00 0.356E+00 -.115E+01   0.472E+00 -.453E+00 0.142E+01   0.442E-06 -.613E-07 0.904E-06
   0.280E-01 -.969E-01 -.265E+00   0.446E+00 -.356E+00 -.115E+01   -.472E+00 0.453E+00 0.142E+01   -.442E-06 0.614E-07 0.904E-06
   -.280E-01 -.969E-01 -.265E+00   -.446E+00 -.356E+00 -.115E+01   0.472E+00 0.453E+00 0.142E+01   0.442E-06 0.614E-07 0.904E-06
   0.280E-01 0.969E-01 -.265E+00   0.446E+00 0.356E+00 -.115E+01   -.472E+00 -.453E+00 0.142E+01   -.442E-06 -.614E-07 0.904E-06
   -.280E-01 0.969E-01 -.265E+00   -.446E+00 0.356E+00 -.115E+01   0.472E+00 -.453E+00 0.142E+01   0.442E-06 -.614E-07 0.904E-06
   0.280E-01 -.969E-01 -.265E+00   0.446E+00 -.356E+00 -.115E+01   -.472E+00 0.453E+00 0.142E+01   -.442E-06 0.614E-07 0.904E-06
   -.280E-01 -.969E-01 -.265E+00   -.446E+00 -.356E+00 -.115E+01   0.472E+00 0.453E+00 0.142E+01   0.442E-06 0.614E-07 0.904E-06
   0.280E-01 0.969E-01 -.265E+00   0.446E+00 0.356E+00 -.115E+01   -.472E+00 -.453E+00 0.142E+01   -.442E-06 -.613E-07 0.904E-06
   -.295E-01 -.378E-01 0.132E+00   -.294E-01 -.231E+00 0.711E+00   0.740E-01 0.270E+00 -.849E+00   0.518E-06 0.699E-06 0.238E-07
   0.295E-01 0.378E-01 0.132E+00   0.294E-01 0.231E+00 0.711E+00   -.740E-01 -.270E+00 -.849E+00   -.518E-06 -.699E-06 0.238E-07
   -.295E-01 0.378E-01 0.132E+00   -.294E-01 0.231E+00 0.711E+00   0.740E-01 -.270E+00 -.849E+00   0.518E-06 -.699E-06 0.238E-07
   0.295E-01 -.378E-01 0.132E+00   0.294E-01 -.231E+00 0.711E+00   -.740E-01 0.270E+00 -.849E+00   -.518E-06 0.699E-06 0.238E-07
   -.295E-01 -.378E-01 0.132E+00   -.294E-01 -.231E+00 0.711E+00   0.740E-01 0.270E+00 -.849E+00   0.518E-06 0.699E-06 0.238E-07
   0.295E-01 0.378E-01 0.132E+00   0.294E-01 0.231E+00 0.711E+00   -.740E-01 -.270E+00 -.849E+00   -.518E-06 -.699E-06 0.238E-07
   -.295E-01 0.378E-01 0.132E+00   -.294E-01 0.231E+00 0.711E+00   0.740E-01 -.270E+00 -.849E+00   0.518E-06 -.699E-06 0.238E-07
   0.295E-01 -.378E-01 0.132E+00   0.294E-01 -.231E+00 0.711E+00   -.740E-01 0.270E+00 -.849E+00   -.518E-06 0.699E-06 0.238E-07
   -.275E+00 -.163E+00 0.302E-01   -.651E+00 -.265E-01 0.566E-01   0.917E+00 0.194E+00 -.104E+00   0.120E-07 -.331E-06 -.117E-05
   0.275E+00 0.163E+00 0.302E-01   0.651E+00 0.265E-01 0.566E-01   -.917E+00 -.194E+00 -.104E+00   -.120E-07 0.332E-06 -.117E-05
   -.275E+00 0.163E+00 0.302E-01   -.651E+00 0.265E-01 0.566E-01   0.917E+00 -.194E+00 -.104E+00   0.120E-07 0.332E-06 -.117E-05
   0.275E+00 -.163E+00 0.302E-01   0.651E+00 -.265E-01 0.566E-01   -.917E+00 0.194E+00 -.104E+00   -.120E-07 -.332E-06 -.117E-05
   -.275E+00 -.163E+00 0.302E-01   -.651E+00 -.265E-01 0.566E-01   0.917E+00 0.194E+00 -.104E+00   0.120E-07 -.332E-06 -.117E-05
   0.275E+00 0.163E+00 0.302E-01   0.651E+00 0.265E-01 0.566E-01   -.917E+00 -.194E+00 -.104E+00   -.120E-07 0.332E-06 -.117E-05
   -.275E+00 0.163E+00 0.302E-01   -.651E+00 0.265E-01 0.566E-01   0.917E+00 -.194E+00 -.104E+00   0.120E-07 0.332E-06 -.117E-05
   0.275E+00 -.163E+00 0.302E-01   0.651E+00 -.265E-01 0.566E-01   -.917E+00 0.194E+00 -.104E+00   -.120E-07 -.331E-06 -.117E-05
   -.567E-01 -.717E-01 0.122E-01   -.197E+00 0.696E-01 0.416E-01   0.252E+00 0.576E-02 -.482E-01   -.647E-08 0.232E-06 0.105E-06
   0.567E-01 0.717E-01 0.122E-01   0.197E+00 -.696E-01 0.416E-01   -.252E+00 -.576E-02 -.482E-01   0.647E-08 -.232E-06 0.105E-06
   -.567E-01 0.717E-01 0.122E-01   -.197E+00 -.696E-01 0.416E-01   0.252E+00 -.576E-02 -.482E-01   -.634E-08 -.232E-06 0.105E-06
   0.567E-01 -.717E-01 0.122E-01   0.197E+00 0.696E-01 0.416E-01   -.252E+00 0.576E-02 -.482E-01   0.634E-08 0.232E-06 0.105E-06
   -.567E-01 -.717E-01 0.122E-01   -.197E+00 0.696E-01 0.416E-01   0.252E+00 0.576E-02 -.482E-01   -.647E-08 0.232E-06 0.105E-06
   0.567E-01 0.717E-01 0.122E-01   0.197E+00 -.696E-01 0.416E-01   -.252E+00 -.576E-02 -.482E-01   0.647E-08 -.232E-06 0.105E-06
   -.567E-01 0.717E-01 0.122E-01   -.197E+00 -.696E-01 0.416E-01   0.252E+00 -.576E-02 -.482E-01   -.634E-08 -.232E-06 0.105E-06
   0.567E-01 -.717E-01 0.122E-01   0.197E+00 0.696E-01 0.416E-01   -.252E+00 0.576E-02 -.482E-01   0.634E-08 0.232E-06 0.105E-06
   0.454E-01 0.161E+00 0.981E-01   0.208E+00 -.143E+00 0.338E+00   -.249E+00 -.900E-02 -.427E+00   -.102E-05 0.354E-06 0.139E-06
   -.454E-01 -.161E+00 0.981E-01   -.208E+00 0.143E+00 0.338E+00   0.249E+00 0.900E-02 -.427E+00   0.102E-05 -.354E-06 0.139E-06
   0.454E-01 -.161E+00 0.981E-01   0.208E+00 0.143E+00 0.338E+00   -.249E+00 0.900E-02 -.427E+00   -.102E-05 -.355E-06 0.139E-06
   -.454E-01 0.161E+00 0.981E-01   -.208E+00 -.143E+00 0.338E+00   0.249E+00 -.900E-02 -.427E+00   0.102E-05 0.354E-06 0.139E-06
   0.454E-01 0.161E+00 0.981E-01   0.208E+00 -.143E+00 0.338E+00   -.249E+00 -.900E-02 -.427E+00   -.102E-05 0.354E-06 0.139E-06
   -.454E-01 -.161E+00 0.981E-01   -.208E+00 0.143E+00 0.338E+00   0.249E+00 0.900E-02 -.427E+00   0.102E-05 -.355E-06 0.139E-06
   0.454E-01 -.161E+00 0.981E-01   0.208E+00 0.143E+00 0.338E+00   -.249E+00 0.900E-02 -.427E+00   -.102E-05 -.354E-06 0.139E-06
   -.454E-01 0.161E+00 0.981E-01   -.208E+00 -.143E+00 0.338E+00   0.249E+00 -.900E-02 -.427E+00   0.102E-05 0.354E-06 0.139E-06
 -----------------------------------------------------------------------------------------------
   -.287E-04 0.240E-04 0.645E-01   -.691E-14 0.708E-14 0.899E-14   0.278E-16 0.260E-16 -.654E-01   0.631E-12 0.157E-12 0.354E-07
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.64089      0.95053     -0.00214        -0.002526     -0.000161      0.008466
      6.24697      7.21864     -0.00214         0.002526      0.000161      0.008466
      4.08483      3.13405     -0.00214        -0.002526      0.000161      0.008466
      2.80304      5.03512     -0.00214         0.002526     -0.000161      0.008466
      0.64089      5.03512      2.53645        -0.002526     -0.000161      0.008466
      6.24697      3.13405      2.53645         0.002526      0.000161      0.008466
      4.08483      7.21864      2.53645        -0.002526      0.000161      0.008466
      2.80304      0.95053      2.53645         0.002526     -0.000161      0.008466
      5.94523      7.37697      1.59306         0.015138      0.001425     -0.006380
      0.94264      0.79221      1.59306        -0.015138     -0.001425     -0.006380
      2.50130      4.87680      1.59306         0.015138     -0.001425     -0.006380
      4.38657      3.29238      1.59306        -0.015138      0.001425     -0.006380
      5.94523      3.29238      4.13166         0.015138      0.001425     -0.006380
      0.94264      4.87680      4.13166        -0.015138     -0.001425     -0.006380
      2.50130      0.79221      4.13166         0.015138     -0.001425     -0.006380
      4.38657      7.37697      4.13166        -0.015138      0.001425     -0.006380
      6.66526      0.95566      3.01669        -0.009743      0.004258     -0.016830
      0.22261      7.21352      3.01669         0.009743     -0.004258     -0.016830
      3.22132      3.12893      3.01669        -0.009743     -0.004258     -0.016830
      3.66654      5.04025      3.01669         0.009743      0.004258     -0.016830
      6.66526      5.04025      0.47810        -0.009743      0.004258     -0.016830
      0.22261      3.12893      0.47810         0.009743     -0.004258     -0.016830
      3.22132      7.21352      0.47810        -0.009743     -0.004258     -0.016830
      3.66654      0.95566      0.47810         0.009743      0.004258     -0.016830
      2.41733      2.18976      0.89549        -0.000973      0.003679      0.005681
      4.47054      5.97941      0.89549         0.000973     -0.003679      0.005681
      5.86126      1.89483      0.89549        -0.000973     -0.003679      0.005681
      1.02660      6.27435      0.89549         0.000973      0.003679      0.005681
      2.41733      6.27435      3.43409        -0.000973      0.003679      0.005681
      4.47054      1.89483      3.43409         0.000973     -0.003679      0.005681
      5.86126      5.97941      3.43409        -0.000973     -0.003679      0.005681
      1.02660      2.18976      3.43409         0.000973      0.003679      0.005681
      2.00040      7.44720      1.91355         0.004404      0.009108      0.009063
      4.88747      0.72197      1.91355        -0.004404     -0.009108      0.009063
      5.44433      4.80656      1.91355         0.004404     -0.009108      0.009063
      1.44354      3.36262      1.91355        -0.004404      0.009108      0.009063
      2.00040      3.36262      4.45214         0.004404      0.009108      0.009063
      4.88747      4.80656      4.45214        -0.004404     -0.009108      0.009063
      5.44433      0.72197      4.45214         0.004404     -0.009108      0.009063
      1.44354      7.44720      4.45214        -0.004404      0.009108      0.009063
 -----------------------------------------------------------------------------------
    total drift:                               -0.000029      0.000024     -0.000884


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -16.90364003 eV

  energy  without entropy=      -16.91381981  energy(sigma->0) =      -16.90703329
  enthalpy is  TOTEN    =       107.91333521 eV   P V=      124.81697524

 d Force = 0.4648302E-03[-0.117E-03, 0.105E-02]  d Energy = 0.6003765E-03-0.136E-03
 d Force = 0.5001552E-01[ 0.492E-01, 0.509E-01]  d Ewald  = 0.2794771E-02 0.472E-01


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


    POTLOK:  cpu time    0.0277: real time    0.0277


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




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


    WAVPRE:  cpu time    0.0070: real time    0.0070
 FEWALD executed in parallel
    FEWALD:  cpu time    0.0017: real time    0.0027
    GENKIN:  cpu time    0.0262: real time    0.0262
    ORTHCH:  cpu time    0.5248: real time    0.5250
     LOOP+:  cpu time   48.2121: real time   48.2235


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


    POTLOK:  cpu time    0.0227: real time    0.0227
    SETDIJ:  cpu time    0.0059: real time    0.0059
     EDDAV:  cpu time    4.9861: real time    4.9867
       DOS:  cpu time    0.0075: real time    0.0076
    CHARGE:  cpu time    0.1738: real time    0.1738
    MIXING:  cpu time    0.0030: real time    0.0030
    --------------------------------------------
      LOOP:  cpu time    5.2016: real time    5.2071

 eigenvalue-minimisations  :  5928
 total energy-change (2. order) :-0.3377922E-02  (-0.3806644E-03)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9507771 magnetization 

  free energy =  -0.169070179487E+02  energy without entropy=  -0.169171540457E+02


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




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


    POTLOK:  cpu time    0.0221: real time    0.0221
    SETDIJ:  cpu time    0.0057: real time    0.0057
     EDDAV:  cpu time    5.3556: real time    5.3561
       DOS:  cpu time    0.0075: real time    0.0075
    CHARGE:  cpu time    0.1733: real time    0.1733
    MIXING:  cpu time    0.0036: real time    0.0036
    --------------------------------------------
      LOOP:  cpu time    5.5693: real time    5.5699

 eigenvalue-minimisations  :  6544
 total energy-change (2. order) : 0.4681567E-05  (-0.7328600E-05)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9507988 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8155
  1.8155

  free energy =  -0.169070132671E+02  energy without entropy=  -0.169171388889E+02


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




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


    POTLOK:  cpu time    0.0212: real time    0.0212
    SETDIJ:  cpu time    0.0056: real time    0.0056
     EDDAV:  cpu time    5.3701: real time    5.3707
       DOS:  cpu time    0.0071: real time    0.0071
    CHARGE:  cpu time    0.1680: real time    0.1680
    MIXING:  cpu time    0.0039: real time    0.0039
    --------------------------------------------
      LOOP:  cpu time    5.5769: real time    5.5775

 eigenvalue-minimisations  :  6456
 total energy-change (2. order) : 0.1587421E-05  (-0.5009890E-06)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9508030 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8326
  1.2633  2.4020

  free energy =  -0.169070116797E+02  energy without entropy=  -0.169171297989E+02


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




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


    POTLOK:  cpu time    0.0213: real time    0.0213
    SETDIJ:  cpu time    0.0060: real time    0.0060
     EDDAV:  cpu time    3.6441: real time    3.6445
       DOS:  cpu time    0.0071: real time    0.0071
    CHARGE:  cpu time    0.1749: real time    0.1749
    MIXING:  cpu time    0.0037: real time    0.0037
    --------------------------------------------
      LOOP:  cpu time    3.8581: real time    3.8585

 eigenvalue-minimisations  :  3332
 total energy-change (2. order) :-0.3373837E-06  (-0.8181730E-07)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9508041 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8625
  1.0336  2.6770  1.8769

  free energy =  -0.169070120171E+02  energy without entropy=  -0.169171287629E+02


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




----------------------------------------- Iteration    7(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0217: real time    0.0217
    SETDIJ:  cpu time    0.0058: real time    0.0058
     EDDAV:  cpu time    3.5251: real time    3.5255
       DOS:  cpu time    0.0084: real time    0.0084
    CHARGE:  cpu time    0.1681: real time    0.1681
    MIXING:  cpu time    0.0044: real time    0.0044
    --------------------------------------------
      LOOP:  cpu time    3.7345: real time    3.7349

 eigenvalue-minimisations  :  3048
 total energy-change (2. order) :-0.2189313E-07  (-0.1234927E-07)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9508044 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7738
  2.8528  1.9551  0.9612  1.3261

  free energy =  -0.169070120389E+02  energy without entropy=  -0.169171292633E+02


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




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


    POTLOK:  cpu time    0.0207: real time    0.0207
    SETDIJ:  cpu time    0.0060: real time    0.0060
     EDDAV:  cpu time    3.4741: real time    3.4745
       DOS:  cpu time    0.0073: real time    0.0073
    --------------------------------------------
      LOOP:  cpu time    3.5090: real time    3.5094

 eigenvalue-minimisations  :  2924
 total energy-change (2. order) :-0.9348469E-09  (-0.1122310E-08)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9508044 magnetization 

  free energy =  -0.169070120399E+02  energy without entropy=  -0.169171292816E+02


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




 average (electrostatic) potential at core
  the test charge radii are     0.9748
  (the norm of the test charge is              1.0000)
       1 -25.9618       2 -25.9618       3 -25.9618       4 -25.9618       5 -25.9618
       6 -25.9618       7 -25.9618       8 -25.9618       9 -25.8893      10 -25.8893
      11 -25.8893      12 -25.8893      13 -25.8893      14 -25.8893      15 -25.8893
      16 -25.8893      17 -25.9211      18 -25.9211      19 -25.9211      20 -25.9211
      21 -25.9211      22 -25.9211      23 -25.9211      24 -25.9211      25 -25.8429
      26 -25.8429      27 -25.8429      28 -25.8429      29 -25.8429      30 -25.8429
      31 -25.8429      32 -25.8429      33 -26.0263      34 -26.0263      35 -26.0263
      36 -26.0263      37 -26.0263      38 -26.0263      39 -26.0263      40 -26.0263
 
 
 
 E-fermi :   4.4658     XC(G=0):  -9.5548     alpha+bet :-20.5634


 k-point     1 :       0.0000    0.0833    0.0500
  band No.  band energies     occupation 
      1       0.9615      2.00000
      2       1.5058      2.00000
      3       1.7422      2.00000
      4       1.9976      2.00000
      5       2.0381      2.00000
      6       2.5148      2.00000
      7       2.6202      2.00000
      8       2.7689      2.00000
      9       2.8689      2.00000
     10       2.9212      2.00000
     11       3.2132      2.00000
     12       3.2735      2.00000
     13       3.3954      2.00000
     14       3.4271      2.00000
     15       3.5162      2.00000
     16       3.6221      2.00000
     17       3.8433      2.00010
     18       4.1870      2.06399
     19       4.2131      2.07048
     20       4.3893      1.59795
     21       5.5257     -0.00000
     22       5.7295     -0.00000
     23       5.9218     -0.00000
     24       6.0936     -0.00000
     25       6.2116     -0.00000
     26       6.2888     -0.00000
     27       6.5494     -0.00000
     28       7.1275     -0.00000
     29       7.1298     -0.00000
     30       7.2525     -0.00000
     31       7.3724     -0.00000
     32       7.4319     -0.00000
     33       8.0652     -0.00000
     34       8.1458     -0.00000
     35       8.8139     -0.00000
     36       8.9498     -0.00000
     37       9.2234     -0.00000
     38       9.4331     -0.00000
     39       9.8075     -0.00000
     40       9.8389     -0.00000
     41      10.0966      0.00000
     42      10.2992      0.00000
     43      10.5479      0.00000
     44      10.8115      0.00000

 k-point     2 :       0.1429    0.0833    0.0500
  band No.  band energies     occupation 
      1       0.9799      2.00000
      2       1.5260      2.00000
      3       1.7101      2.00000
      4       1.7630      2.00000
      5       2.2744      2.00000
      6       2.3895      2.00000
      7       2.5259      2.00000
      8       2.8669      2.00000
      9       2.9625      2.00000
     10       3.1468      2.00000
     11       3.2410      2.00000
     12       3.2870      2.00000
     13       3.3707      2.00000
     14       3.4315      2.00000
     15       3.5456      2.00000
     16       3.6259      2.00000
     17       3.7791      2.00001
     18       4.0608      2.01475
     19       4.2342      2.06940
     20       4.4351      1.25615
     21       5.4178     -0.00000
     22       5.5815     -0.00000
     23       5.8849     -0.00000
     24       5.9921     -0.00000
     25       6.1443     -0.00000
     26       6.5283     -0.00000
     27       6.6224     -0.00000
     28       6.8279     -0.00000
     29       7.1096     -0.00000
     30       7.2414     -0.00000
     31       7.2979     -0.00000
     32       7.3905     -0.00000
     33       8.3315     -0.00000
     34       8.3812     -0.00000
     35       8.8283     -0.00000
     36       8.8783     -0.00000
     37       9.2461     -0.00000
     38       9.4211     -0.00000
     39       9.7498     -0.00000
     40       9.9210     -0.00000
     41      10.0646      0.00000
     42      10.1660      0.00000
     43      10.8461      0.00000
     44      10.9286      0.00000

 k-point     3 :       0.2857    0.0833    0.0500
  band No.  band energies     occupation 
      1       1.0359      2.00000
      2       1.4641      2.00000
      3       1.5869      2.00000
      4       1.8257      2.00000
      5       2.0335      2.00000
      6       2.2821      2.00000
      7       2.8222      2.00000
      8       2.9644      2.00000
      9       3.2378      2.00000
     10       3.2659      2.00000
     11       3.3185      2.00000
     12       3.3314      2.00000
     13       3.4296      2.00000
     14       3.5246      2.00000
     15       3.5741      2.00000
     16       3.6241      2.00000
     17       3.7292      2.00000
     18       3.8463      2.00011
     19       4.1586      2.05208
     20       4.3418      1.85752
     21       5.3244     -0.00000
     22       5.4256     -0.00000
     23       5.7749     -0.00000
     24       5.8430     -0.00000
     25       5.8838     -0.00000
     26       6.2363     -0.00000
     27       6.7694     -0.00000
     28       7.0269     -0.00000
     29       7.1121     -0.00000
     30       7.2200     -0.00000
     31       7.2610     -0.00000
     32       7.5450     -0.00000
     33       8.4738     -0.00000
     34       8.4995     -0.00000
     35       8.7537     -0.00000
     36       8.8985     -0.00000
     37       9.2056     -0.00000
     38       9.3229     -0.00000
     39       9.7975     -0.00000
     40       9.8755     -0.00000
     41      10.1530      0.00000
     42      10.3541      0.00000
     43      11.0105      0.00000
     44      11.1368      0.00000

 k-point     4 :       0.4286    0.0833    0.0500
  band No.  band energies     occupation 
      1       1.1324      2.00000
      2       1.2733      2.00000
      3       1.6901      2.00000
      4       1.8368      2.00000
      5       1.9343      2.00000
      6       2.0844      2.00000
      7       3.0503      2.00000
      8       3.1549      2.00000
      9       3.2990      2.00000
     10       3.3900      2.00000
     11       3.4301      2.00000
     12       3.4456      2.00000
     13       3.5027      2.00000
     14       3.5132      2.00000
     15       3.6377      2.00000
     16       3.6518      2.00000
     17       3.7151      2.00000
     18       3.7707      2.00001
     19       3.9159      2.00071
     20       4.1128      2.03164
     21       5.3530     -0.00000
     22       5.4748     -0.00000
     23       5.6362     -0.00000
     24       5.6513     -0.00000
     25       5.7609     -0.00000
     26       5.7757     -0.00000
     27       6.9657     -0.00000
     28       7.1217     -0.00000
     29       7.1515     -0.00000
     30       7.1618     -0.00000
     31       7.6163     -0.00000
     32       7.8588     -0.00000
     33       8.1328     -0.00000
     34       8.2127     -0.00000
     35       8.8834     -0.00000
     36       8.9464     -0.00000
     37       9.1017     -0.00000
     38       9.1832     -0.00000
     39       9.7968     -0.00000
     40       9.8703     -0.00000
     41      10.4488      0.00000
     42      10.5452      0.00000
     43      11.2331      0.00000
     44      11.3405      0.00000

 k-point     5 :       0.0000    0.2500    0.0500
  band No.  band energies     occupation 
      1       0.9950      2.00000
      2       1.3156      2.00000
      3       2.0219      2.00000
      4       2.0294      2.00000
      5       2.0749      2.00000
      6       2.3372      2.00000
      7       2.4301      2.00000
      8       2.9385      2.00000
      9       3.0108      2.00000
     10       3.0530      2.00000
     11       3.1392      2.00000
     12       3.2035      2.00000
     13       3.4003      2.00000
     14       3.4928      2.00000
     15       3.5074      2.00000
     16       3.6926      2.00000
     17       3.7552      2.00001
     18       4.0148      2.00646
     19       4.0368      2.00973
     20       4.2314      2.06998
     21       5.6724     -0.00000
     22       5.8083     -0.00000
     23       5.9708     -0.00000
     24       6.2125     -0.00000
     25       6.3124     -0.00000
     26       6.4294     -0.00000
     27       6.5088     -0.00000
     28       6.7765     -0.00000
     29       7.2771     -0.00000
     30       7.3238     -0.00000
     31       7.3998     -0.00000
     32       7.6342     -0.00000
     33       8.0198     -0.00000
     34       8.1682     -0.00000
     35       8.8875     -0.00000
     36       9.0388     -0.00000
     37       9.0726     -0.00000
     38       9.2159     -0.00000
     39       9.5315     -0.00000
     40       9.8611     -0.00000
     41       9.9086     -0.00000
     42      10.3860      0.00000
     43      10.4879      0.00000
     44      10.9175      0.00000

 k-point     6 :       0.1429    0.2500    0.0500
  band No.  band energies     occupation 
      1       1.0135      2.00000
      2       1.3351      2.00000
      3       1.7452      2.00000
      4       2.0353      2.00000
      5       2.0907      2.00000
      6       2.4210      2.00000
      7       2.7288      2.00000
      8       2.8127      2.00000
      9       2.9717      2.00000
     10       3.0387      2.00000
     11       3.2200      2.00000
     12       3.3517      2.00000
     13       3.3952      2.00000
     14       3.5015      2.00000
     15       3.5291      2.00000
     16       3.6966      2.00000
     17       3.7069      2.00000
     18       3.8310      2.00007
     19       4.1140      2.03211
     20       4.2769      2.03666
     21       5.5542     -0.00000
     22       5.7359     -0.00000
     23       5.9348     -0.00000
     24       6.0613     -0.00000
     25       6.2322     -0.00000
     26       6.4901     -0.00000
     27       6.6352     -0.00000
     28       6.7138     -0.00000
     29       7.1615     -0.00000
     30       7.3128     -0.00000
     31       7.3313     -0.00000
     32       7.6100     -0.00000
     33       8.2620     -0.00000
     34       8.3475     -0.00000
     35       8.8875     -0.00000
     36       8.9976     -0.00000
     37       9.0198     -0.00000
     38       9.2237     -0.00000
     39       9.6146     -0.00000
     40       9.8139     -0.00000
     41       9.9278      0.00000
     42      10.4473      0.00000
     43      10.5079      0.00000
     44      11.0349      0.00000

 k-point     7 :       0.2857    0.2500    0.0500
  band No.  band energies     occupation 
      1       1.0699      2.00000
      2       1.3944      2.00000
      3       1.4992      2.00000
      4       1.8339      2.00000
      5       2.1136      2.00000
      6       2.5749      2.00000
      7       2.8435      2.00000
      8       2.9913      2.00000
      9       3.1238      2.00000
     10       3.1361      2.00000
     11       3.2676      2.00000
     12       3.3047      2.00000
     13       3.4722      2.00000
     14       3.5323      2.00000
     15       3.6128      2.00000
     16       3.6183      2.00000
     17       3.6770      2.00000
     18       3.7295      2.00000
     19       4.0518      2.01268
     20       4.2335      2.06957
     21       5.3961     -0.00000
     22       5.6617     -0.00000
     23       5.7665     -0.00000
     24       5.8246     -0.00000
     25       6.1095     -0.00000
     26       6.1951     -0.00000
     27       6.6153     -0.00000
     28       7.0648     -0.00000
     29       7.1124     -0.00000
     30       7.3593     -0.00000
     31       7.4897     -0.00000
     32       7.5504     -0.00000
     33       8.3501     -0.00000
     34       8.5104     -0.00000
     35       8.7874     -0.00000
     36       8.8801     -0.00000
     37       9.0404     -0.00000
     38       9.1592     -0.00000
     39       9.6299     -0.00000
     40       9.7939     -0.00000
     41      10.1402      0.00000
     42      10.5684      0.00000
     43      10.7123      0.00000
     44      11.2211      0.00000

 k-point     8 :       0.4286    0.2500    0.0500
  band No.  band energies     occupation 
      1       1.1668      2.00000
      2       1.3082      2.00000
      3       1.4953      2.00000
      4       1.6408      2.00000
      5       2.2229      2.00000
      6       2.3770      2.00000
      7       3.0866      2.00000
      8       3.1955      2.00000
      9       3.2128      2.00000
     10       3.3123      2.00000
     11       3.3755      2.00000
     12       3.4093      2.00000
     13       3.4336      2.00000
     14       3.4436      2.00000
     15       3.5503      2.00000
     16       3.6269      2.00000
     17       3.7481      2.00000
     18       3.7721      2.00001
     19       3.8486      2.00011
     20       4.0083      2.00568
     21       5.4149     -0.00000
     22       5.6074     -0.00000
     23       5.6085     -0.00000
     24       5.7852     -0.00000
     25       5.7901     -0.00000
     26       5.9709     -0.00000
     27       6.7830     -0.00000
     28       6.9516     -0.00000
     29       7.3350     -0.00000
     30       7.4417     -0.00000
     31       7.7209     -0.00000
     32       7.8003     -0.00000
     33       8.1461     -0.00000
     34       8.1830     -0.00000
     35       8.8335     -0.00000
     36       8.8879     -0.00000
     37       8.9662     -0.00000
     38       9.0528     -0.00000
     39       9.6064     -0.00000
     40       9.7719     -0.00000
     41      10.4235      0.00000
     42      10.5978      0.00000
     43      11.1543      0.00000
     44      11.3542      0.00000

 k-point     9 :       0.0000    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.0634      2.00000
      2       1.1692      2.00000
      3       2.0947      2.00000
      4       2.1484      2.00000
      5       2.1963      2.00000
      6       2.2433      2.00000
      7       2.3761      2.00000
      8       2.6980      2.00000
      9       3.0142      2.00000
     10       3.1067      2.00000
     11       3.3429      2.00000
     12       3.4323      2.00000
     13       3.4387      2.00000
     14       3.4749      2.00000
     15       3.5993      2.00000
     16       3.6004      2.00000
     17       3.7437      2.00000
     18       3.7816      2.00001
     19       3.8292      2.00006
     20       4.0195      2.00707
     21       5.9234     -0.00000
     22       5.9409     -0.00000
     23       6.0861     -0.00000
     24       6.1427     -0.00000
     25       6.2053     -0.00000
     26       6.4195     -0.00000
     27       6.6293     -0.00000
     28       6.9247     -0.00000
     29       6.9808     -0.00000
     30       7.2581     -0.00000
     31       7.6021     -0.00000
     32       7.8588     -0.00000
     33       8.1846     -0.00000
     34       8.3681     -0.00000
     35       8.5142     -0.00000
     36       9.0106     -0.00000
     37       9.0819     -0.00000
     38       9.1449     -0.00000
     39       9.3053     -0.00000
     40       9.5909     -0.00000
     41       9.9385      0.00000
     42      10.0530      0.00000
     43      10.7519      0.00000
     44      10.9300      0.00000

 k-point    10 :       0.1429    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.0822      2.00000
      2       1.1883      2.00000
      3       1.8165      2.00000
      4       1.9262      2.00000
      5       2.3648      2.00000
      6       2.4808      2.00000
      7       2.6026      2.00000
      8       2.7287      2.00000
      9       3.0335      2.00000
     10       3.1252      2.00000
     11       3.1434      2.00000
     12       3.4357      2.00000
     13       3.4866      2.00000
     14       3.4892      2.00000
     15       3.5009      2.00000
     16       3.6156      2.00000
     17       3.6887      2.00000
     18       3.8387      2.00009
     19       3.9154      2.00070
     20       4.0487      2.01202
     21       5.7522     -0.00000
     22       5.9242     -0.00000
     23       5.9565     -0.00000
     24       6.1153     -0.00000
     25       6.2416     -0.00000
     26       6.3621     -0.00000
     27       6.5611     -0.00000
     28       6.9059     -0.00000
     29       6.9961     -0.00000
     30       7.2105     -0.00000
     31       7.6283     -0.00000
     32       7.9891     -0.00000
     33       8.1804     -0.00000
     34       8.4858     -0.00000
     35       8.5637     -0.00000
     36       8.9900     -0.00000
     37       9.0181     -0.00000
     38       9.2488     -0.00000
     39       9.2670     -0.00000
     40       9.5536     -0.00000
     41      10.0002      0.00000
     42      10.1215      0.00000
     43      10.7693      0.00000
     44      10.9789      0.00000

 k-point    11 :       0.2857    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.1391      2.00000
      2       1.2462      2.00000
      3       1.5709      2.00000
      4       1.6816      2.00000
      5       2.4377      2.00000
      6       2.7679      2.00000
      7       2.9100      2.00000
      8       2.9318      2.00000
      9       2.9830      2.00000
     10       3.1077      2.00000
     11       3.1796      2.00000
     12       3.2718      2.00000
     13       3.3751      2.00000
     14       3.4597      2.00000
     15       3.5288      2.00000
     16       3.6011      2.00000
     17       3.7403      2.00000
     18       3.8932      2.00039
     19       3.9003      2.00047
     20       4.0771      2.01912
     21       5.5262     -0.00000
     22       5.6535     -0.00000
     23       5.8843     -0.00000
     24       6.0511     -0.00000
     25       6.0702     -0.00000
     26       6.3520     -0.00000
     27       6.4260     -0.00000
     28       6.7679     -0.00000
     29       7.2590     -0.00000
     30       7.3886     -0.00000
     31       7.7242     -0.00000
     32       8.0587     -0.00000
     33       8.0980     -0.00000
     34       8.4853     -0.00000
     35       8.5893     -0.00000
     36       8.8665     -0.00000
     37       8.9571     -0.00000
     38       9.2793     -0.00000
     39       9.2858     -0.00000
     40       9.5574     -0.00000
     41      10.2241      0.00000
     42      10.4085      0.00000
     43      10.7698      0.00000
     44      11.0254      0.00000

 k-point    12 :       0.4286    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.2369      2.00000
      2       1.3453      2.00000
      3       1.3793      2.00000
      4       1.4891      2.00000
      5       2.5531      2.00000
      6       2.7117      2.00000
      7       2.9033      2.00000
      8       3.0689      2.00000
      9       3.1536      2.00000
     10       3.2389      2.00000
     11       3.2691      2.00000
     12       3.3588      2.00000
     13       3.3851      2.00000
     14       3.4160      2.00000
     15       3.6050      2.00000
     16       3.6783      2.00000
     17       3.6794      2.00000
     18       3.7701      2.00001
     19       3.8266      2.00006
     20       3.8959      2.00042
     21       5.5046     -0.00000
     22       5.5660     -0.00000
     23       5.6860     -0.00000
     24       5.7593     -0.00000
     25       6.1297     -0.00000
     26       6.2787     -0.00000
     27       6.4801     -0.00000
     28       6.6318     -0.00000
     29       7.5654     -0.00000
     30       7.7020     -0.00000
     31       7.8039     -0.00000
     32       8.0106     -0.00000
     33       8.0269     -0.00000
     34       8.3202     -0.00000
     35       8.4309     -0.00000
     36       8.6264     -0.00000
     37       9.0278     -0.00000
     38       9.2561     -0.00000
     39       9.3158     -0.00000
     40       9.5351     -0.00000
     41      10.5163      0.00000
     42      10.6992      0.00000
     43      10.7705      0.00000
     44      10.9676      0.00000

 k-point    13 :       0.0000    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.0006      2.00000
      2       1.5530      2.00000
      3       1.7924      2.00000
      4       2.0383      2.00000
      5       2.0807      2.00000
      6       2.4864      2.00000
      7       2.5792      2.00000
      8       2.6637      2.00000
      9       2.8085      2.00000
     10       2.9057      2.00000
     11       3.0757      2.00000
     12       3.2839      2.00000
     13       3.3073      2.00000
     14       3.3385      2.00000
     15       3.4466      2.00000
     16       3.7614      2.00001
     17       3.8587      2.00015
     18       4.0069      2.00553
     19       4.0464      2.01154
     20       4.1712      2.05768
     21       5.7538     -0.00000
     22       5.9568     -0.00000
     23       6.1799     -0.00000
     24       6.4559     -0.00000
     25       6.4925     -0.00000
     26       6.5700     -0.00000
     27       6.5946     -0.00000
     28       6.7552     -0.00000
     29       7.1625     -0.00000
     30       7.2646     -0.00000
     31       7.3699     -0.00000
     32       7.4041     -0.00000
     33       8.1531     -0.00000
     34       8.4598     -0.00000
     35       8.9303     -0.00000
     36       9.0489     -0.00000
     37       9.0544     -0.00000
     38       9.5653     -0.00000
     39       9.8008     -0.00000
     40       9.8242     -0.00000
     41      10.0024      0.00000
     42      10.0182      0.00000
     43      10.3998      0.00000
     44      10.4518      0.00000

 k-point    14 :       0.1429    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.0191      2.00000
      2       1.5731      2.00000
      3       1.7517      2.00000
      4       1.8130      2.00000
      5       2.3175      2.00000
      6       2.4302      2.00000
      7       2.5186      2.00000
      8       2.5697      2.00000
      9       2.9495      2.00000
     10       3.0919      2.00000
     11       3.1439      2.00000
     12       3.1915      2.00000
     13       3.3035      2.00000
     14       3.3721      2.00000
     15       3.5863      2.00000
     16       3.6575      2.00000
     17       3.8716      2.00022
     18       3.9614      2.00210
     19       4.0870      2.02219
     20       4.1555      2.05064
     21       5.6995     -0.00000
     22       5.8037     -0.00000
     23       6.1147     -0.00000
     24       6.3423     -0.00000
     25       6.3839     -0.00000
     26       6.4770     -0.00000
     27       6.7084     -0.00000
     28       6.7724     -0.00000
     29       7.1598     -0.00000
     30       7.2415     -0.00000
     31       7.2676     -0.00000
     32       7.4445     -0.00000
     33       8.3127     -0.00000
     34       8.5352     -0.00000
     35       8.9151     -0.00000
     36       9.0160     -0.00000
     37       9.0689     -0.00000
     38       9.5848     -0.00000
     39       9.8179     -0.00000
     40       9.8890     -0.00000
     41       9.8989     -0.00000
     42      10.1006      0.00000
     43      10.6372      0.00000
     44      10.7104      0.00000

 k-point    15 :       0.2857    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.0754      2.00000
      2       1.5052      2.00000
      3       1.6338      2.00000
      4       1.8752      2.00000
      5       2.0782      2.00000
      6       2.3254      2.00000
      7       2.5793      2.00000
      8       2.8586      2.00000
      9       2.9698      2.00000
     10       3.1403      2.00000
     11       3.2868      2.00000
     12       3.3556      2.00000
     13       3.4480      2.00000
     14       3.4764      2.00000
     15       3.5341      2.00000
     16       3.7428      2.00000
     17       3.8091      2.00004
     18       3.9031      2.00051
     19       4.0069      2.00552
     20       4.1181      2.03382
     21       5.4577     -0.00000
     22       5.7633     -0.00000
     23       5.9853     -0.00000
     24       5.9905     -0.00000
     25       6.1251     -0.00000
     26       6.2912     -0.00000
     27       6.7103     -0.00000
     28       7.0405     -0.00000
     29       7.0431     -0.00000
     30       7.1666     -0.00000
     31       7.3085     -0.00000
     32       7.6855     -0.00000
     33       8.3527     -0.00000
     34       8.4267     -0.00000
     35       8.9468     -0.00000
     36       9.0495     -0.00000
     37       9.0848     -0.00000
     38       9.4845     -0.00000
     39       9.8850     -0.00000
     40      10.0872      0.00000
     41      10.1130      0.00000
     42      10.3117      0.00000
     43      10.9686      0.00000
     44      11.1161      0.00000

 k-point    16 :       0.4286    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.1723      2.00000
      2       1.3139      2.00000
      3       1.7366      2.00000
      4       1.8831      2.00000
      5       1.9819      2.00000
      6       2.1305      2.00000
      7       2.6748      2.00000
      8       2.8066      2.00000
      9       3.2086      2.00000
     10       3.3066      2.00000
     11       3.3455      2.00000
     12       3.5018      2.00000
     13       3.5568      2.00000
     14       3.6293      2.00000
     15       3.6380      2.00000
     16       3.6466      2.00000
     17       3.7971      2.00002
     18       3.8636      2.00018
     19       3.8732      2.00023
     20       3.9223      2.00083
     21       5.4354     -0.00000
     22       5.6549     -0.00000
     23       5.7296     -0.00000
     24       5.7921     -0.00000
     25       5.9840     -0.00000
     26       6.1823     -0.00000
     27       6.7410     -0.00000
     28       6.8728     -0.00000
     29       7.1486     -0.00000
     30       7.1974     -0.00000
     31       7.6112     -0.00000
     32       7.9458     -0.00000
     33       8.0308     -0.00000
     34       8.1862     -0.00000
     35       9.0789     -0.00000
     36       9.1406     -0.00000
     37       9.1824     -0.00000
     38       9.3468     -0.00000
     39       9.8976     -0.00000
     40      10.0779      0.00000
     41      10.3650      0.00000
     42      10.4648      0.00000
     43      11.2182      0.00000
     44      11.3259      0.00000

 k-point    17 :       0.0000    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.0347      2.00000
      2       1.3602      2.00000
      3       2.0706      2.00000
      4       2.0756      2.00000
      5       2.1180      2.00000
      6       2.3768      2.00000
      7       2.4740      2.00000
      8       2.5513      2.00000
      9       2.9066      2.00000
     10       3.0642      2.00000
     11       3.0771      2.00000
     12       3.1656      2.00000
     13       3.3555      2.00000
     14       3.5044      2.00000
     15       3.5116      2.00000
     16       3.6697      2.00000
     17       3.8472      2.00011
     18       3.8802      2.00028
     19       3.9376      2.00121
     20       4.0435      2.01097
     21       5.8372     -0.00000
     22       6.0117     -0.00000
     23       6.0586     -0.00000
     24       6.3253     -0.00000
     25       6.4899     -0.00000
     26       6.6048     -0.00000
     27       6.6701     -0.00000
     28       6.7887     -0.00000
     29       7.3676     -0.00000
     30       7.3950     -0.00000
     31       7.4736     -0.00000
     32       7.6331     -0.00000
     33       8.1810     -0.00000
     34       8.3026     -0.00000
     35       8.7416     -0.00000
     36       8.9254     -0.00000
     37       9.2065     -0.00000
     38       9.4174     -0.00000
     39       9.6184     -0.00000
     40       9.7148     -0.00000
     41       9.8189     -0.00000
     42      10.3298      0.00000
     43      10.3688      0.00000
     44      10.9182      0.00000

 k-point    18 :       0.1429    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.0533      2.00000
      2       1.3797      2.00000
      3       1.7872      2.00000
      4       2.0875      2.00000
      5       2.1353      2.00000
      6       2.4624      2.00000
      7       2.5618      2.00000
      8       2.7823      2.00000
      9       2.8473      2.00000
     10       2.9256      2.00000
     11       3.1042      2.00000
     12       3.2033      2.00000
     13       3.4011      2.00000
     14       3.4965      2.00000
     15       3.5905      2.00000
     16       3.6447      2.00000
     17       3.7964      2.00002
     18       3.8636      2.00018
     19       3.9752      2.00285
     20       4.0998      2.02662
     21       5.7346     -0.00000
     22       5.9579     -0.00000
     23       5.9710     -0.00000
     24       6.2218     -0.00000
     25       6.3069     -0.00000
     26       6.5946     -0.00000
     27       6.6427     -0.00000
     28       6.9037     -0.00000
     29       7.2430     -0.00000
     30       7.3815     -0.00000
     31       7.4988     -0.00000
     32       7.6224     -0.00000
     33       8.3564     -0.00000
     34       8.3588     -0.00000
     35       8.8321     -0.00000
     36       8.9025     -0.00000
     37       9.1859     -0.00000
     38       9.3932     -0.00000
     39       9.6144     -0.00000
     40       9.7317     -0.00000
     41       9.8958     -0.00000
     42      10.4018      0.00000
     43      10.5342      0.00000
     44      10.9482      0.00000

 k-point    19 :       0.2857    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.1100      2.00000
      2       1.4390      2.00000
      3       1.5408      2.00000
      4       1.8785      2.00000
      5       2.1650      2.00000
      6       2.6087      2.00000
      7       2.6283      2.00000
      8       2.8810      2.00000
      9       2.9828      2.00000
     10       3.0183      2.00000
     11       3.1582      2.00000
     12       3.1848      2.00000
     13       3.3644      2.00000
     14       3.6040      2.00000
     15       3.6194      2.00000
     16       3.6448      2.00000
     17       3.7917      2.00002
     18       3.9060      2.00055
     19       3.9473      2.00152
     20       4.1109      2.03088
     21       5.4797     -0.00000
     22       5.8299     -0.00000
     23       5.9110     -0.00000
     24       5.9640     -0.00000
     25       6.0250     -0.00000
     26       6.5216     -0.00000
     27       6.5358     -0.00000
     28       7.0164     -0.00000
     29       7.1663     -0.00000
     30       7.4117     -0.00000
     31       7.6213     -0.00000
     32       7.6753     -0.00000
     33       8.3245     -0.00000
     34       8.4442     -0.00000
     35       8.8569     -0.00000
     36       8.9030     -0.00000
     37       9.2581     -0.00000
     38       9.2881     -0.00000
     39       9.6400     -0.00000
     40       9.9864      0.00000
     41      10.0856      0.00000
     42      10.5252      0.00000
     43      10.7650      0.00000
     44      11.1211      0.00000

 k-point    20 :       0.4286    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.2073      2.00000
      2       1.3492      2.00000
      3       1.5400      2.00000
      4       1.6855      2.00000
      5       2.2719      2.00000
      6       2.4222      2.00000
      7       2.7187      2.00000
      8       2.8544      2.00000
      9       3.0693      2.00000
     10       3.1912      2.00000
     11       3.2804      2.00000
     12       3.3909      2.00000
     13       3.4518      2.00000
     14       3.5044      2.00000
     15       3.6838      2.00000
     16       3.7061      2.00000
     17       3.7920      2.00002
     18       3.8815      2.00029
     19       3.9269      2.00093
     20       3.9316      2.00104
     21       5.4064     -0.00000
     22       5.6799     -0.00000
     23       5.6847     -0.00000
     24       5.7651     -0.00000
     25       6.0498     -0.00000
     26       6.3737     -0.00000
     27       6.5976     -0.00000
     28       6.7794     -0.00000
     29       7.3036     -0.00000
     30       7.4607     -0.00000
     31       7.8059     -0.00000
     32       7.8963     -0.00000
     33       8.1597     -0.00000
     34       8.1739     -0.00000
     35       8.9567     -0.00000
     36       9.0215     -0.00000
     37       9.1682     -0.00000
     38       9.3244     -0.00000
     39       9.6105     -0.00000
     40      10.0506      0.00000
     41      10.3291      0.00000
     42      10.5151      0.00000
     43      11.1182      0.00000
     44      11.2355      0.00000

 k-point    21 :       0.0000    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.1043      2.00000
      2       1.2117      2.00000
      3       2.1365      2.00000
      4       2.1923      2.00000
      5       2.2384      2.00000
      6       2.2911      2.00000
      7       2.4293      2.00000
      8       2.6310      2.00000
      9       2.7519      2.00000
     10       2.7589      2.00000
     11       3.3245      2.00000
     12       3.4382      2.00000
     13       3.4662      2.00000
     14       3.4990      2.00000
     15       3.6376      2.00000
     16       3.6421      2.00000
     17       3.6837      2.00000
     18       3.7708      2.00001
     19       3.8091      2.00004
     20       3.8365      2.00008
     21       5.9345     -0.00000
     22       6.0699     -0.00000
     23       6.0871     -0.00000
     24       6.2064     -0.00000
     25       6.3511     -0.00000
     26       6.3586     -0.00000
     27       6.9622     -0.00000
     28       7.1309     -0.00000
     29       7.2318     -0.00000
     30       7.3976     -0.00000
     31       7.7241     -0.00000
     32       8.0412     -0.00000
     33       8.1007     -0.00000
     34       8.3693     -0.00000
     35       8.4352     -0.00000
     36       9.0083     -0.00000
     37       9.1260     -0.00000
     38       9.1894     -0.00000
     39       9.3976     -0.00000
     40       9.5551     -0.00000
     41       9.9216     -0.00000
     42      10.0625      0.00000
     43      10.7319      0.00000
     44      10.9271      0.00000

 k-point    22 :       0.1429    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.1231      2.00000
      2       1.2308      2.00000
      3       1.8593      2.00000
      4       1.9698      2.00000
      5       2.4208      2.00000
      6       2.5235      2.00000
      7       2.6237      2.00000
      8       2.6735      2.00000
      9       2.7662      2.00000
     10       2.7945      2.00000
     11       3.1523      2.00000
     12       3.3043      2.00000
     13       3.3877      2.00000
     14       3.5137      2.00000
     15       3.6160      2.00000
     16       3.6984      2.00000
     17       3.7486      2.00000
     18       3.8227      2.00005
     19       3.8492      2.00012
     20       3.9631      2.00218
     21       5.8738     -0.00000
     22       5.9599     -0.00000
     23       6.0144     -0.00000
     24       6.1405     -0.00000
     25       6.1444     -0.00000
     26       6.3531     -0.00000
     27       6.9258     -0.00000
     28       7.1572     -0.00000
     29       7.1918     -0.00000
     30       7.4161     -0.00000
     31       7.7031     -0.00000
     32       8.0464     -0.00000
     33       8.1407     -0.00000
     34       8.5132     -0.00000
     35       8.5703     -0.00000
     36       8.9796     -0.00000
     37       9.0911     -0.00000
     38       9.1936     -0.00000
     39       9.4017     -0.00000
     40       9.5892     -0.00000
     41       9.9982      0.00000
     42      10.1736      0.00000
     43      10.7382      0.00000
     44      10.9525      0.00000

 k-point    23 :       0.2857    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.1803      2.00000
      2       1.2889      2.00000
      3       1.6134      2.00000
      4       1.7251      2.00000
      5       2.4912      2.00000
      6       2.7060      2.00000
      7       2.8149      2.00000
      8       2.8330      2.00000
      9       2.9391      2.00000
     10       2.9827      2.00000
     11       3.0482      2.00000
     12       3.1153      2.00000
     13       3.2119      2.00000
     14       3.3175      2.00000
     15       3.7457      2.00000
     16       3.7465      2.00000
     17       3.8326      2.00007
     18       3.8786      2.00027
     19       3.9452      2.00145
     20       4.0398      2.01028
     21       5.6148     -0.00000
     22       5.7881     -0.00000
     23       5.7952     -0.00000
     24       5.8718     -0.00000
     25       6.1363     -0.00000
     26       6.3236     -0.00000
     27       6.7554     -0.00000
     28       6.9302     -0.00000
     29       7.3829     -0.00000
     30       7.5749     -0.00000
     31       7.7680     -0.00000
     32       8.0932     -0.00000
     33       8.1014     -0.00000
     34       8.5254     -0.00000
     35       8.6812     -0.00000
     36       8.9526     -0.00000
     37       9.0220     -0.00000
     38       9.2200     -0.00000
     39       9.5047     -0.00000
     40       9.7666     -0.00000
     41      10.1840      0.00000
     42      10.4204      0.00000
     43      10.7230      0.00000
     44      10.9989      0.00000

 k-point    24 :       0.4286    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.2784      2.00000
      2       1.3883      2.00000
      3       1.4213      2.00000
      4       1.5323      2.00000
      5       2.6013      2.00000
      6       2.7491      2.00000
      7       2.8074      2.00000
      8       2.9125      2.00000
      9       2.9497      2.00000
     10       2.9581      2.00000
     11       3.0545      2.00000
     12       3.1366      2.00000
     13       3.4046      2.00000
     14       3.4493      2.00000
     15       3.7288      2.00000
     16       3.7547      2.00001
     17       3.8342      2.00008
     18       3.8799      2.00028
     19       3.9439      2.00140
     20       3.9569      2.00189
     21       5.4835     -0.00000
     22       5.6076     -0.00000
     23       5.6513     -0.00000
     24       5.6885     -0.00000
     25       6.2478     -0.00000
     26       6.4251     -0.00000
     27       6.5257     -0.00000
     28       6.6512     -0.00000
     29       7.5434     -0.00000
     30       7.7603     -0.00000
     31       7.7926     -0.00000
     32       8.0426     -0.00000
     33       8.1910     -0.00000
     34       8.4650     -0.00000
     35       8.6190     -0.00000
     36       8.8481     -0.00000
     37       9.0617     -0.00000
     38       9.2679     -0.00000
     39       9.5394     -0.00000
     40       9.8219     -0.00000
     41      10.4372      0.00000
     42      10.6313      0.00000
     43      10.7295      0.00000
     44      10.9431      0.00000

 k-point    25 :       0.0000    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.0796      2.00000
      2       1.6474      2.00000
      3       1.8924      2.00000
      4       2.1199      2.00000
      5       2.1419      2.00000
      6       2.1648      2.00000
      7       2.6445      2.00000
      8       2.7490      2.00000
      9       2.7890      2.00000
     10       2.8585      2.00000
     11       2.9749      2.00000
     12       3.0622      2.00000
     13       3.1436      2.00000
     14       3.1888      2.00000
     15       3.4171      2.00000
     16       3.6170      2.00000
     17       3.7457      2.00000
     18       3.8206      2.00005
     19       3.8901      2.00036
     20       4.2436      2.06627
     21       6.0919     -0.00000
     22       6.1857     -0.00000
     23       6.2607     -0.00000
     24       6.6149     -0.00000
     25       6.8978     -0.00000
     26       6.9984     -0.00000
     27       7.0158     -0.00000
     28       7.0736     -0.00000
     29       7.2667     -0.00000
     30       7.3132     -0.00000
     31       7.3608     -0.00000
     32       7.3842     -0.00000
     33       8.1527     -0.00000
     34       8.5847     -0.00000
     35       8.6037     -0.00000
     36       9.1250     -0.00000
     37       9.2491     -0.00000
     38       9.5699     -0.00000
     39       9.6526     -0.00000
     40       9.7185     -0.00000
     41       9.8377     -0.00000
     42      10.0591      0.00000
     43      10.2166      0.00000
     44      10.3402      0.00000

 k-point    26 :       0.1429    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.0983      2.00000
      2       1.6673      2.00000
      3       1.8349      2.00000
      4       1.9125      2.00000
      5       2.1622      2.00000
      6       2.4059      2.00000
      7       2.5090      2.00000
      8       2.6392      2.00000
      9       2.8091      2.00000
     10       2.8896      2.00000
     11       3.0282      2.00000
     12       3.0830      2.00000
     13       3.2239      2.00000
     14       3.4158      2.00000
     15       3.4596      2.00000
     16       3.4787      2.00000
     17       3.7210      2.00000
     18       3.9026      2.00050
     19       3.9218      2.00082
     20       4.2467      2.06480
     21       5.9638     -0.00000
     22       6.1215     -0.00000
     23       6.1263     -0.00000
     24       6.5181     -0.00000
     25       6.6593     -0.00000
     26       6.9254     -0.00000
     27       6.9673     -0.00000
     28       7.0955     -0.00000
     29       7.1912     -0.00000
     30       7.2704     -0.00000
     31       7.3547     -0.00000
     32       7.5552     -0.00000
     33       8.2981     -0.00000
     34       8.5422     -0.00000
     35       8.7424     -0.00000
     36       9.0408     -0.00000
     37       9.2357     -0.00000
     38       9.4676     -0.00000
     39       9.7511     -0.00000
     40       9.7851     -0.00000
     41       9.9768      0.00000
     42      10.2269      0.00000
     43      10.4169      0.00000
     44      10.5695      0.00000

 k-point    27 :       0.2857    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.1552      2.00000
      2       1.5878      2.00000
      3       1.7276      2.00000
      4       1.9731      2.00000
      5       2.1664      2.00000
      6       2.2247      2.00000
      7       2.4094      2.00000
      8       2.6611      2.00000
      9       2.8445      2.00000
     10       2.9469      2.00000
     11       3.1384      2.00000
     12       3.2604      2.00000
     13       3.3558      2.00000
     14       3.5024      2.00000
     15       3.5203      2.00000
     16       3.5775      2.00000
     17       3.7504      2.00001
     18       3.8682      2.00020
     19       4.0170      2.00674
     20       4.2388      2.06810
     21       5.6079     -0.00000
     22       5.9692     -0.00000
     23       5.9975     -0.00000
     24       6.2142     -0.00000
     25       6.4305     -0.00000
     26       6.6923     -0.00000
     27       6.8660     -0.00000
     28       6.8716     -0.00000
     29       7.2255     -0.00000
     30       7.2831     -0.00000
     31       7.4829     -0.00000
     32       7.7682     -0.00000
     33       8.3064     -0.00000
     34       8.3140     -0.00000
     35       9.0245     -0.00000
     36       9.1024     -0.00000
     37       9.3126     -0.00000
     38       9.4937     -0.00000
     39       9.8343     -0.00000
     40      10.0128      0.00000
     41      10.2254      0.00000
     42      10.5033      0.00000
     43      10.7146      0.00000
     44      10.9535      0.00000

 k-point    28 :       0.4286    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.2529      2.00000
      2       1.3954      2.00000
      3       1.8296      2.00000
      4       1.9751      2.00000
      5       2.0757      2.00000
      6       2.2195      2.00000
      7       2.3281      2.00000
      8       2.4731      2.00000
      9       2.9433      2.00000
     10       3.0687      2.00000
     11       3.2566      2.00000
     12       3.3602      2.00000
     13       3.4546      2.00000
     14       3.6141      2.00000
     15       3.6406      2.00000
     16       3.6722      2.00000
     17       3.7599      2.00001
     18       3.8493      2.00012
     19       4.0008      2.00489
     20       4.1707      2.05746
     21       5.5228     -0.00000
     22       5.7542     -0.00000
     23       5.8229     -0.00000
     24       5.8929     -0.00000
     25       6.4911     -0.00000
     26       6.5501     -0.00000
     27       6.6183     -0.00000
     28       6.7645     -0.00000
     29       7.2627     -0.00000
     30       7.3106     -0.00000
     31       7.7097     -0.00000
     32       7.9127     -0.00000
     33       8.0517     -0.00000
     34       8.0796     -0.00000
     35       9.2907     -0.00000
     36       9.3440     -0.00000
     37       9.4125     -0.00000
     38       9.5281     -0.00000
     39       9.8942     -0.00000
     40      10.2122      0.00000
     41      10.2732      0.00000
     42      10.3475      0.00000
     43      11.0804      0.00000
     44      11.2412      0.00000

 k-point    29 :       0.0000    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.1149      2.00000
      2       1.4498      2.00000
      3       2.1533      2.00000
      4       2.1818      2.00000
      5       2.1851      2.00000
      6       2.2029      2.00000
      7       2.4676      2.00000
      8       2.5606      2.00000
      9       2.5767      2.00000
     10       3.0518      2.00000
     11       3.1760      2.00000
     12       3.2028      2.00000
     13       3.2386      2.00000
     14       3.2881      2.00000
     15       3.3320      2.00000
     16       3.4954      2.00000
     17       3.6114      2.00000
     18       3.8068      2.00003
     19       3.8618      2.00017
     20       4.1437      2.04519
     21       6.0567     -0.00000
     22       6.1111     -0.00000
     23       6.3101     -0.00000
     24       6.3250     -0.00000
     25       6.8660     -0.00000
     26       6.8695     -0.00000
     27       7.0062     -0.00000
     28       7.3112     -0.00000
     29       7.3503     -0.00000
     30       7.5477     -0.00000
     31       7.6093     -0.00000
     32       7.6341     -0.00000
     33       8.1912     -0.00000
     34       8.3881     -0.00000
     35       8.5708     -0.00000
     36       9.0666     -0.00000
     37       9.3860     -0.00000
     38       9.4015     -0.00000
     39       9.6208     -0.00000
     40       9.6629     -0.00000
     41       9.9063     -0.00000
     42      10.1521      0.00000
     43      10.2170      0.00000
     44      10.6045      0.00000

 k-point    30 :       0.1429    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.1336      2.00000
      2       1.4693      2.00000
      3       1.8713      2.00000
      4       2.1829      2.00000
      5       2.2129      2.00000
      6       2.2265      2.00000
      7       2.5408      2.00000
      8       2.5996      2.00000
      9       2.8525      2.00000
     10       2.8671      2.00000
     11       2.9919      2.00000
     12       3.2133      2.00000
     13       3.2950      2.00000
     14       3.3813      2.00000
     15       3.3887      2.00000
     16       3.5438      2.00000
     17       3.7122      2.00000
     18       3.8179      2.00005
     19       3.8688      2.00020
     20       4.1510      2.04855
     21       5.9350     -0.00000
     22       6.0054     -0.00000
     23       6.1982     -0.00000
     24       6.3342     -0.00000
     25       6.5402     -0.00000
     26       6.7892     -0.00000
     27       7.0108     -0.00000
     28       7.2470     -0.00000
     29       7.3346     -0.00000
     30       7.5536     -0.00000
     31       7.6476     -0.00000
     32       7.6699     -0.00000
     33       8.3838     -0.00000
     34       8.4528     -0.00000
     35       8.6303     -0.00000
     36       9.0310     -0.00000
     37       9.2840     -0.00000
     38       9.3806     -0.00000
     39       9.6777     -0.00000
     40       9.7689     -0.00000
     41      10.0042      0.00000
     42      10.3067      0.00000
     43      10.4133      0.00000
     44      10.6755      0.00000

 k-point    31 :       0.2857    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.1908      2.00000
      2       1.5287      2.00000
      3       1.6244      2.00000
      4       1.9679      2.00000
      5       2.2469      2.00000
      6       2.2872      2.00000
      7       2.6489      2.00000
      8       2.6550      2.00000
      9       2.7547      2.00000
     10       2.9547      2.00000
     11       3.0735      2.00000
     12       3.2297      2.00000
     13       3.3055      2.00000
     14       3.4296      2.00000
     15       3.6148      2.00000
     16       3.6382      2.00000
     17       3.7517      2.00001
     18       3.8040      2.00003
     19       3.9834      2.00340
     20       4.1577      2.05167
     21       5.5793     -0.00000
     22       5.8693     -0.00000
     23       5.9994     -0.00000
     24       6.0779     -0.00000
     25       6.3693     -0.00000
     26       6.5911     -0.00000
     27       6.9565     -0.00000
     28       6.9820     -0.00000
     29       7.3906     -0.00000
     30       7.5268     -0.00000
     31       7.7371     -0.00000
     32       7.8026     -0.00000
     33       8.3242     -0.00000
     34       8.4702     -0.00000
     35       8.8549     -0.00000
     36       9.1025     -0.00000
     37       9.3478     -0.00000
     38       9.4879     -0.00000
     39       9.7119     -0.00000
     40       9.9328      0.00000
     41      10.2572      0.00000
     42      10.4285      0.00000
     43      10.7240      0.00000
     44      10.9101      0.00000

 k-point    32 :       0.4286    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.2889      2.00000
      2       1.4318      2.00000
      3       1.6296      2.00000
      4       1.7751      2.00000
      5       2.3383      2.00000
      6       2.3978      2.00000
      7       2.4750      2.00000
      8       2.5616      2.00000
      9       2.7529      2.00000
     10       2.8972      2.00000
     11       3.3368      2.00000
     12       3.4228      2.00000
     13       3.5010      2.00000
     14       3.5570      2.00000
     15       3.5580      2.00000
     16       3.6521      2.00000
     17       3.7096      2.00000
     18       3.8730      2.00023
     19       3.9985      2.00466
     20       4.1186      2.03401
     21       5.4507     -0.00000
     22       5.7299     -0.00000
     23       5.7523     -0.00000
     24       5.7723     -0.00000
     25       6.4360     -0.00000
     26       6.5317     -0.00000
     27       6.6682     -0.00000
     28       6.9190     -0.00000
     29       7.4115     -0.00000
     30       7.5446     -0.00000
     31       7.8601     -0.00000
     32       7.9228     -0.00000
     33       8.1155     -0.00000
     34       8.3099     -0.00000
     35       9.1711     -0.00000
     36       9.2689     -0.00000
     37       9.4060     -0.00000
     38       9.5997     -0.00000
     39       9.6682     -0.00000
     40      10.1148      0.00000
     41      10.3779      0.00000
     42      10.3833      0.00000
     43      10.8344      0.00000
     44      11.0351      0.00000

 k-point    33 :       0.0000    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.1866      2.00000
      2       1.2972      2.00000
      3       2.2209      2.00000
      4       2.2705      2.00000
      5       2.2789      2.00000
      6       2.3272      2.00000
      7       2.3838      2.00000
      8       2.4032      2.00000
      9       2.5357      2.00000
     10       2.8770      2.00000
     11       3.1893      2.00000
     12       3.3063      2.00000
     13       3.3211      2.00000
     14       3.4431      2.00000
     15       3.4508      2.00000
     16       3.5118      2.00000
     17       3.6079      2.00000
     18       3.7225      2.00000
     19       3.7267      2.00000
     20       3.9439      2.00140
     21       6.0007     -0.00000
     22       6.0860     -0.00000
     23       6.2693     -0.00000
     24       6.4729     -0.00000
     25       6.5465     -0.00000
     26       6.6742     -0.00000
     27       7.1495     -0.00000
     28       7.2806     -0.00000
     29       7.5506     -0.00000
     30       7.6509     -0.00000
     31       7.9885     -0.00000
     32       8.0485     -0.00000
     33       8.1675     -0.00000
     34       8.3964     -0.00000
     35       8.5058     -0.00000
     36       9.0982     -0.00000
     37       9.1724     -0.00000
     38       9.2379     -0.00000
     39       9.5302     -0.00000
     40       9.6395     -0.00000
     41       9.7794     -0.00000
     42       9.9295      0.00000
     43      10.6776      0.00000
     44      10.8971      0.00000

 k-point    34 :       0.1429    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.2056      2.00000
      2       1.3165      2.00000
      3       1.9450      2.00000
      4       2.0573      2.00000
      5       2.2925      2.00000
      6       2.4230      2.00000
      7       2.5310      2.00000
      8       2.6080      2.00000
      9       2.7307      2.00000
     10       2.9022      2.00000
     11       2.9944      2.00000
     12       3.1343      2.00000
     13       3.2433      2.00000
     14       3.5079      2.00000
     15       3.5190      2.00000
     16       3.6289      2.00000
     17       3.6915      2.00000
     18       3.7107      2.00000
     19       3.8300      2.00007
     20       3.9594      2.00201
     21       5.9469     -0.00000
     22       5.9998     -0.00000
     23       6.0874     -0.00000
     24       6.2981     -0.00000
     25       6.4513     -0.00000
     26       6.6107     -0.00000
     27       7.1254     -0.00000
     28       7.2239     -0.00000
     29       7.5481     -0.00000
     30       7.6738     -0.00000
     31       7.9402     -0.00000
     32       8.1139     -0.00000
     33       8.2299     -0.00000
     34       8.4531     -0.00000
     35       8.6796     -0.00000
     36       9.0660     -0.00000
     37       9.1332     -0.00000
     38       9.2746     -0.00000
     39       9.5587     -0.00000
     40       9.7321     -0.00000
     41       9.8802     -0.00000
     42      10.0833      0.00000
     43      10.6658      0.00000
     44      10.8672      0.00000

 k-point    35 :       0.2857    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.2633      2.00000
      2       1.3749      2.00000
      3       1.6986      2.00000
      4       1.8125      2.00000
      5       2.3517      2.00000
      6       2.4833      2.00000
      7       2.5986      2.00000
      8       2.7787      2.00000
      9       2.8863      2.00000
     10       2.9546      2.00000
     11       3.0365      2.00000
     12       3.0599      2.00000
     13       3.1223      2.00000
     14       3.3592      2.00000
     15       3.7091      2.00000
     16       3.7106      2.00000
     17       3.7817      2.00001
     18       3.8592      2.00016
     19       3.9371      2.00119
     20       3.9978      2.00460
     21       5.6570     -0.00000
     22       5.7905     -0.00000
     23       5.8811     -0.00000
     24       5.8820     -0.00000
     25       6.4451     -0.00000
     26       6.5140     -0.00000
     27       7.0033     -0.00000
     28       7.0075     -0.00000
     29       7.6046     -0.00000
     30       7.7666     -0.00000
     31       7.9298     -0.00000
     32       8.1450     -0.00000
     33       8.2217     -0.00000
     34       8.5526     -0.00000
     35       8.7940     -0.00000
     36       9.1540     -0.00000
     37       9.1628     -0.00000
     38       9.3515     -0.00000
     39       9.7294     -0.00000
     40       9.9612      0.00000
     41      10.0291      0.00000
     42      10.3445      0.00000
     43      10.6195      0.00000
     44      10.9151      0.00000

 k-point    36 :       0.4286    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.3621      2.00000
      2       1.4747      2.00000
      3       1.5058      2.00000
      4       1.6193      2.00000
      5       2.4504      2.00000
      6       2.5828      2.00000
      7       2.5878      2.00000
      8       2.7165      2.00000
      9       2.7271      2.00000
     10       2.8608      2.00000
     11       3.0619      2.00000
     12       3.2022      2.00000
     13       3.4487      2.00000
     14       3.4992      2.00000
     15       3.7251      2.00000
     16       3.7358      2.00000
     17       3.7758      2.00001
     18       3.9273      2.00094
     19       3.9468      2.00150
     20       4.0181      2.00688
     21       5.4616     -0.00000
     22       5.5843     -0.00000
     23       5.6662     -0.00000
     24       5.6827     -0.00000
     25       6.4833     -0.00000
     26       6.5217     -0.00000
     27       6.7547     -0.00000
     28       6.8679     -0.00000
     29       7.6617     -0.00000
     30       7.8569     -0.00000
     31       7.8691     -0.00000
     32       8.0697     -0.00000
     33       8.2918     -0.00000
     34       8.6706     -0.00000
     35       8.8222     -0.00000
     36       9.0686     -0.00000
     37       9.3223     -0.00000
     38       9.4411     -0.00000
     39       9.8169     -0.00000
     40      10.0782      0.00000
     41      10.2481      0.00000
     42      10.4940      0.00000
     43      10.6233      0.00000
     44      10.8395      0.00000

 k-point    37 :       0.0000    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.2000      2.00000
      2       1.7890      2.00000
      3       1.8328      2.00000
      4       2.0410      2.00000
      5       2.2395      2.00000
      6       2.2876      2.00000
      7       2.4948      2.00000
      8       2.7378      2.00000
      9       2.7677      2.00000
     10       2.8546      2.00000
     11       2.8603      2.00000
     12       2.9071      2.00000
     13       3.0781      2.00000
     14       3.1045      2.00000
     15       3.4173      2.00000
     16       3.4278      2.00000
     17       3.6033      2.00000
     18       3.6163      2.00000
     19       3.6759      2.00000
     20       4.3672      1.73224
     21       6.1189     -0.00000
     22       6.4625     -0.00000
     23       6.5179     -0.00000
     24       7.0667     -0.00000
     25       7.1595     -0.00000
     26       7.2283     -0.00000
     27       7.2380     -0.00000
     28       7.3110     -0.00000
     29       7.4308     -0.00000
     30       7.5332     -0.00000
     31       7.5802     -0.00000
     32       7.8745     -0.00000
     33       8.1330     -0.00000
     34       8.1993     -0.00000
     35       8.5848     -0.00000
     36       9.2027     -0.00000
     37       9.3532     -0.00000
     38       9.3719     -0.00000
     39       9.4795     -0.00000
     40       9.5183     -0.00000
     41       9.6632     -0.00000
     42       9.7313     -0.00000
     43      10.0148      0.00000
     44      10.6847      0.00000

 k-point    38 :       0.1429    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.2189      2.00000
      2       1.8076      2.00000
      3       1.8536      2.00000
      4       1.9596      2.00000
      5       2.0613      2.00000
      6       2.4994      2.00000
      7       2.5172      2.00000
      8       2.6014      2.00000
      9       2.6323      2.00000
     10       2.7951      2.00000
     11       2.7975      2.00000
     12       3.1224      2.00000
     13       3.1892      2.00000
     14       3.2106      2.00000
     15       3.3893      2.00000
     16       3.4300      2.00000
     17       3.6068      2.00000
     18       3.7297      2.00000
     19       3.7826      2.00002
     20       4.3677      1.72951
     21       6.0577     -0.00000
     22       6.1767     -0.00000
     23       6.4009     -0.00000
     24       6.8073     -0.00000
     25       6.8941     -0.00000
     26       7.1284     -0.00000
     27       7.2603     -0.00000
     28       7.2706     -0.00000
     29       7.4018     -0.00000
     30       7.6124     -0.00000
     31       7.6217     -0.00000
     32       7.8467     -0.00000
     33       8.3085     -0.00000
     34       8.4388     -0.00000
     35       8.6484     -0.00000
     36       9.0633     -0.00000
     37       9.1903     -0.00000
     38       9.4167     -0.00000
     39       9.5444     -0.00000
     40       9.6810     -0.00000
     41       9.8901     -0.00000
     42       9.8924     -0.00000
     43      10.2714      0.00000
     44      10.6335      0.00000

 k-point    39 :       0.2857    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.2766      2.00000
      2       1.7124      2.00000
      3       1.8642      2.00000
      4       1.9158      2.00000
      5       2.1221      2.00000
      6       2.2882      2.00000
      7       2.3636      2.00000
      8       2.5621      2.00000
      9       2.5667      2.00000
     10       2.8279      2.00000
     11       2.9707      2.00000
     12       3.0656      2.00000
     13       3.2611      2.00000
     14       3.4303      2.00000
     15       3.5090      2.00000
     16       3.6820      2.00000
     17       3.7107      2.00000
     18       3.8200      2.00005
     19       3.9335      2.00109
     20       4.3475      1.83235
     21       5.7340     -0.00000
     22       5.9058     -0.00000
     23       6.1052     -0.00000
     24       6.2954     -0.00000
     25       6.8106     -0.00000
     26       6.8197     -0.00000
     27       6.8919     -0.00000
     28       7.2272     -0.00000
     29       7.4834     -0.00000
     30       7.7027     -0.00000
     31       7.7431     -0.00000
     32       7.8922     -0.00000
     33       8.2139     -0.00000
     34       8.4255     -0.00000
     35       9.0574     -0.00000
     36       9.1660     -0.00000
     37       9.3503     -0.00000
     38       9.4272     -0.00000
     39       9.6095     -0.00000
     40       9.9587      0.00000
     41      10.2119      0.00000
     42      10.2642      0.00000
     43      10.4361      0.00000
     44      10.7659      0.00000

 k-point    40 :       0.4286    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.3754      2.00000
      2       1.5191      2.00000
      3       1.9607      2.00000
      4       2.0185      2.00000
      5       2.1015      2.00000
      6       2.1680      2.00000
      7       2.2318      2.00000
      8       2.3772      2.00000
      9       2.6574      2.00000
     10       2.7930      2.00000
     11       2.9428      2.00000
     12       3.0769      2.00000
     13       3.4990      2.00000
     14       3.6616      2.00000
     15       3.6960      2.00000
     16       3.7326      2.00000
     17       3.8293      2.00006
     18       3.8940      2.00040
     19       4.0198      2.00710
     20       4.2467      2.06482
     21       5.5637     -0.00000
     22       5.7713     -0.00000
     23       5.7921     -0.00000
     24       5.9140     -0.00000
     25       6.6210     -0.00000
     26       6.6519     -0.00000
     27       6.8517     -0.00000
     28       7.1153     -0.00000
     29       7.5332     -0.00000
     30       7.6469     -0.00000
     31       7.8470     -0.00000
     32       7.9919     -0.00000
     33       8.0197     -0.00000
     34       8.3355     -0.00000
     35       9.2790     -0.00000
     36       9.4146     -0.00000
     37       9.4311     -0.00000
     38       9.5697     -0.00000
     39       9.7348     -0.00000
     40      10.1726      0.00000
     41      10.1822      0.00000
     42      10.3749      0.00000
     43      10.8239      0.00000
     44      11.1213      0.00000

 k-point    41 :       0.0000    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.2368      2.00000
      2       1.5849      2.00000
      3       1.8753      2.00000
      4       2.2503      2.00000
      5       2.2954      2.00000
      6       2.3269      2.00000
      7       2.3372      2.00000
      8       2.5911      2.00000
      9       2.6874      2.00000
     10       2.8971      2.00000
     11       2.9426      2.00000
     12       3.0766      2.00000
     13       3.2484      2.00000
     14       3.2717      2.00000
     15       3.2745      2.00000
     16       3.3268      2.00000
     17       3.4600      2.00000
     18       3.6763      2.00000
     19       3.6903      2.00000
     20       4.1585      2.05202
     21       6.1323     -0.00000
     22       6.3726     -0.00000
     23       6.5023     -0.00000
     24       6.7975     -0.00000
     25       6.9792     -0.00000
     26       7.1044     -0.00000
     27       7.3887     -0.00000
     28       7.5261     -0.00000
     29       7.5520     -0.00000
     30       7.5992     -0.00000
     31       7.6420     -0.00000
     32       8.0989     -0.00000
     33       8.1915     -0.00000
     34       8.2061     -0.00000
     35       8.7884     -0.00000
     36       9.0547     -0.00000
     37       9.2977     -0.00000
     38       9.4150     -0.00000
     39       9.4787     -0.00000
     40       9.6102     -0.00000
     41       9.9069     -0.00000
     42      10.0471      0.00000
     43      10.0626      0.00000
     44      10.7315      0.00000

 k-point    42 :       0.1429    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.2558      2.00000
      2       1.6045      2.00000
      3       1.8951      2.00000
      4       1.9974      2.00000
      5       2.2861      2.00000
      6       2.3344      2.00000
      7       2.3669      2.00000
      8       2.6356      2.00000
      9       2.6614      2.00000
     10       2.9752      2.00000
     11       3.0015      2.00000
     12       3.0495      2.00000
     13       3.1141      2.00000
     14       3.2565      2.00000
     15       3.3927      2.00000
     16       3.5397      2.00000
     17       3.5643      2.00000
     18       3.6333      2.00000
     19       3.7365      2.00000
     20       4.1658      2.05532
     21       6.0559     -0.00000
     22       6.1067     -0.00000
     23       6.4133     -0.00000
     24       6.6170     -0.00000
     25       6.7689     -0.00000
     26       7.0513     -0.00000
     27       7.2853     -0.00000
     28       7.3715     -0.00000
     29       7.5536     -0.00000
     30       7.7100     -0.00000
     31       7.7570     -0.00000
     32       8.1706     -0.00000
     33       8.3092     -0.00000
     34       8.3959     -0.00000
     35       8.7103     -0.00000
     36       9.0851     -0.00000
     37       9.1604     -0.00000
     38       9.5435     -0.00000
     39       9.5592     -0.00000
     40       9.6453     -0.00000
     41      10.0502      0.00000
     42      10.1928      0.00000
     43      10.2206      0.00000
     44      10.7065      0.00000

 k-point    43 :       0.2857    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.3137      2.00000
      2       1.6638      2.00000
      3       1.7505      2.00000
      4       1.9546      2.00000
      5       2.1025      2.00000
      6       2.3463      2.00000
      7       2.3763      2.00000
      8       2.4415      2.00000
      9       2.7775      2.00000
     10       2.8413      2.00000
     11       3.0299      2.00000
     12       3.1970      2.00000
     13       3.3297      2.00000
     14       3.4208      2.00000
     15       3.5187      2.00000
     16       3.5522      2.00000
     17       3.6964      2.00000
     18       3.7684      2.00001
     19       3.8611      2.00016
     20       4.1733      2.05859
     21       5.6771     -0.00000
     22       5.8565     -0.00000
     23       6.0847     -0.00000
     24       6.0924     -0.00000
     25       6.7868     -0.00000
     26       6.8676     -0.00000
     27       7.0071     -0.00000
     28       7.4683     -0.00000
     29       7.5217     -0.00000
     30       7.7142     -0.00000
     31       7.8308     -0.00000
     32       8.1119     -0.00000
     33       8.2624     -0.00000
     34       8.6026     -0.00000
     35       8.9397     -0.00000
     36       9.1806     -0.00000
     37       9.3018     -0.00000
     38       9.6169     -0.00000
     39       9.6517     -0.00000
     40       9.7953     -0.00000
     41      10.2001      0.00000
     42      10.3664      0.00000
     43      10.5251      0.00000
     44      10.7979      0.00000

 k-point    44 :       0.4286    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.4128      2.00000
      2       1.5570      2.00000
      3       1.7646      2.00000
      4       1.9095      2.00000
      5       2.0570      2.00000
      6       2.2009      2.00000
      7       2.4468      2.00000
      8       2.5263      2.00000
      9       2.5939      2.00000
     10       2.6666      2.00000
     11       3.2026      2.00000
     12       3.3087      2.00000
     13       3.5009      2.00000
     14       3.5886      2.00000
     15       3.6160      2.00000
     16       3.6630      2.00000
     17       3.7106      2.00000
     18       3.8694      2.00021
     19       3.9849      2.00352
     20       4.1337      2.04063
     21       5.4747     -0.00000
     22       5.6687     -0.00000
     23       5.7226     -0.00000
     24       5.7281     -0.00000
     25       6.7488     -0.00000
     26       6.8198     -0.00000
     27       6.8424     -0.00000
     28       7.4918     -0.00000
     29       7.5657     -0.00000
     30       7.6560     -0.00000
     31       7.9087     -0.00000
     32       8.0493     -0.00000
     33       8.0499     -0.00000
     34       8.6269     -0.00000
     35       9.2487     -0.00000
     36       9.3650     -0.00000
     37       9.5032     -0.00000
     38       9.6261     -0.00000
     39       9.6615     -0.00000
     40       9.9619      0.00000
     41      10.2602      0.00000
     42      10.3922      0.00000
     43      10.6551      0.00000
     44      10.8183      0.00000

 k-point    45 :       0.0000    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.3116      2.00000
      2       1.4267      2.00000
      3       1.9609      2.00000
      4       2.0905      2.00000
      5       2.3490      2.00000
      6       2.4051      2.00000
      7       2.4537      2.00000
      8       2.5161      2.00000
      9       2.6879      2.00000
     10       2.9818      2.00000
     11       3.0115      2.00000
     12       3.0397      2.00000
     13       3.1023      2.00000
     14       3.2020      2.00000
     15       3.4422      2.00000
     16       3.4749      2.00000
     17       3.5288      2.00000
     18       3.6460      2.00000
     19       3.6625      2.00000
     20       3.8298      2.00007
     21       6.2198     -0.00000
     22       6.3299     -0.00000
     23       6.5594     -0.00000
     24       6.6199     -0.00000
     25       6.7298     -0.00000
     26       6.7679     -0.00000
     27       7.4866     -0.00000
     28       7.5406     -0.00000
     29       7.7774     -0.00000
     30       7.8044     -0.00000
     31       7.8896     -0.00000
     32       7.9852     -0.00000
     33       8.5139     -0.00000
     34       8.5159     -0.00000
     35       8.7016     -0.00000
     36       9.1323     -0.00000
     37       9.1695     -0.00000
     38       9.2778     -0.00000
     39       9.5344     -0.00000
     40       9.6731     -0.00000
     41       9.7674     -0.00000
     42      10.0606      0.00000
     43      10.5519      0.00000
     44      10.7606      0.00000

 k-point    46 :       0.1429    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.3308      2.00000
      2       1.4461      2.00000
      3       1.9807      2.00000
      4       2.0729      2.00000
      5       2.1118      2.00000
      6       2.1890      2.00000
      7       2.6621      2.00000
      8       2.7246      2.00000
      9       2.7488      2.00000
     10       2.8460      2.00000
     11       2.8578      2.00000
     12       3.0806      2.00000
     13       3.2680      2.00000
     14       3.3798      2.00000
     15       3.3904      2.00000
     16       3.4880      2.00000
     17       3.6018      2.00000
     18       3.6571      2.00000
     19       3.6894      2.00000
     20       3.8446      2.00010
     21       6.1144     -0.00000
     22       6.1409     -0.00000
     23       6.2939     -0.00000
     24       6.3704     -0.00000
     25       6.7678     -0.00000
     26       6.8730     -0.00000
     27       7.3621     -0.00000
     28       7.3740     -0.00000
     29       7.7650     -0.00000
     30       7.8531     -0.00000
     31       7.9791     -0.00000
     32       8.1553     -0.00000
     33       8.4648     -0.00000
     34       8.6300     -0.00000
     35       8.7177     -0.00000
     36       9.1676     -0.00000
     37       9.2459     -0.00000
     38       9.2723     -0.00000
     39       9.5976     -0.00000
     40       9.7895     -0.00000
     41       9.8596     -0.00000
     42      10.1236      0.00000
     43      10.5478      0.00000
     44      10.7081      0.00000

 k-point    47 :       0.2857    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.3892      2.00000
      2       1.5050      2.00000
      3       1.8273      2.00000
      4       1.9440      2.00000
      5       2.0416      2.00000
      6       2.1715      2.00000
      7       2.4770      2.00000
      8       2.6090      2.00000
      9       2.7655      2.00000
     10       3.0717      2.00000
     11       3.1339      2.00000
     12       3.1760      2.00000
     13       3.2308      2.00000
     14       3.4064      2.00000
     15       3.5567      2.00000
     16       3.6151      2.00000
     17       3.6404      2.00000
     18       3.7766      2.00001
     19       3.7824      2.00002
     20       3.8882      2.00035
     21       5.7077     -0.00000
     22       5.8249     -0.00000
     23       5.9106     -0.00000
     24       5.9731     -0.00000
     25       6.8248     -0.00000
     26       6.8549     -0.00000
     27       7.1716     -0.00000
     28       7.3277     -0.00000
     29       7.7656     -0.00000
     30       7.8702     -0.00000
     31       7.9720     -0.00000
     32       8.2186     -0.00000
     33       8.4491     -0.00000
     34       8.6930     -0.00000
     35       8.8986     -0.00000
     36       9.2575     -0.00000
     37       9.3427     -0.00000
     38       9.4189     -0.00000
     39       9.7108     -0.00000
     40       9.9279      0.00000
     41      10.0301      0.00000
     42      10.3148      0.00000
     43      10.5224      0.00000
     44      10.8181      0.00000

 k-point    48 :       0.4286    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.4889      2.00000
      2       1.6054      2.00000
      3       1.6337      2.00000
      4       1.7508      2.00000
      5       2.1428      2.00000
      6       2.2731      2.00000
      7       2.2888      2.00000
      8       2.4208      2.00000
      9       2.8594      2.00000
     10       2.9890      2.00000
     11       3.1983      2.00000
     12       3.3021      2.00000
     13       3.4633      2.00000
     14       3.5512      2.00000
     15       3.5806      2.00000
     16       3.6864      2.00000
     17       3.7027      2.00000
     18       3.8658      2.00019
     19       3.8801      2.00028
     20       3.9467      2.00150
     21       5.4477     -0.00000
     22       5.5294     -0.00000
     23       5.6120     -0.00000
     24       5.6457     -0.00000
     25       6.8220     -0.00000
     26       6.8496     -0.00000
     27       7.0726     -0.00000
     28       7.3350     -0.00000
     29       7.8041     -0.00000
     30       7.8930     -0.00000
     31       7.9237     -0.00000
     32       8.0576     -0.00000
     33       8.4491     -0.00000
     34       8.9152     -0.00000
     35       8.9620     -0.00000
     36       9.1930     -0.00000
     37       9.4938     -0.00000
     38       9.5554     -0.00000
     39       9.7567     -0.00000
     40       9.9235     -0.00000
     41      10.1973      0.00000
     42      10.4829      0.00000
     43      10.5972      0.00000
     44      10.8513      0.00000

 k-point    49 :       0.0000    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.3639      2.00000
      2       1.5740      2.00000
      3       1.9771      2.00000
      4       2.2056      2.00000
      5       2.2341      2.00000
      6       2.3958      2.00000
      7       2.4441      2.00000
      8       2.5199      2.00000
      9       2.6220      2.00000
     10       2.6482      2.00000
     11       2.9663      2.00000
     12       3.0365      2.00000
     13       3.1766      2.00000
     14       3.1969      2.00000
     15       3.2246      2.00000
     16       3.2412      2.00000
     17       3.3858      2.00000
     18       3.4101      2.00000
     19       3.9180      2.00075
     20       4.1924      2.06583
     21       6.3689     -0.00000
     22       6.5812     -0.00000
     23       6.8319     -0.00000
     24       7.1172     -0.00000
     25       7.2206     -0.00000
     26       7.2363     -0.00000
     27       7.2395     -0.00000
     28       7.3846     -0.00000
     29       7.7461     -0.00000
     30       7.7857     -0.00000
     31       7.7969     -0.00000
     32       8.0539     -0.00000
     33       8.2122     -0.00000
     34       8.4375     -0.00000
     35       8.7157     -0.00000
     36       9.0720     -0.00000
     37       9.1586     -0.00000
     38       9.3601     -0.00000
     39       9.4756     -0.00000
     40       9.4775     -0.00000
     41       9.5013     -0.00000
     42       9.6439     -0.00000
     43       9.6558     -0.00000
     44       9.9277      0.00000

 k-point    50 :       0.1429    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.3831      2.00000
      2       1.5934      2.00000
      3       1.9967      2.00000
      4       2.1211      2.00000
      5       2.2372      2.00000
      6       2.2474      2.00000
      7       2.3488      2.00000
      8       2.4984      2.00000
      9       2.7186      2.00000
     10       2.7933      2.00000
     11       2.9200      2.00000
     12       2.9474      2.00000
     13       3.0341      2.00000
     14       3.1814      2.00000
     15       3.3063      2.00000
     16       3.4763      2.00000
     17       3.4778      2.00000
     18       3.6076      2.00000
     19       3.9428      2.00136
     20       4.2028      2.06871
     21       6.2224     -0.00000
     22       6.2902     -0.00000
     23       6.6260     -0.00000
     24       6.7728     -0.00000
     25       7.0810     -0.00000
     26       7.1032     -0.00000
     27       7.2819     -0.00000
     28       7.3409     -0.00000
     29       7.7203     -0.00000
     30       7.7401     -0.00000
     31       8.0471     -0.00000
     32       8.2758     -0.00000
     33       8.3162     -0.00000
     34       8.6000     -0.00000
     35       8.6979     -0.00000
     36       8.9903     -0.00000
     37       9.0296     -0.00000
     38       9.3292     -0.00000
     39       9.3807     -0.00000
     40       9.6380     -0.00000
     41       9.7022     -0.00000
     42       9.7628     -0.00000
     43       9.9441      0.00000
     44      10.1279      0.00000

 k-point    51 :       0.2857    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.4415      2.00000
      2       1.6522      2.00000
      3       1.8795      2.00000
      4       2.0490      2.00000
      5       2.0983      2.00000
      6       2.2922      2.00000
      7       2.3211      2.00000
      8       2.4913      2.00000
      9       2.5571      2.00000
     10       2.7155      2.00000
     11       2.7390      2.00000
     12       2.9593      2.00000
     13       3.2202      2.00000
     14       3.3574      2.00000
     15       3.5895      2.00000
     16       3.6977      2.00000
     17       3.7275      2.00000
     18       3.7756      2.00001
     19       4.0097      2.00584
     20       4.2177      2.07084
     21       5.8340     -0.00000
     22       5.8954     -0.00000
     23       6.1723     -0.00000
     24       6.2429     -0.00000
     25       6.9515     -0.00000
     26       7.0079     -0.00000
     27       7.0830     -0.00000
     28       7.1818     -0.00000
     29       7.7423     -0.00000
     30       7.7700     -0.00000
     31       8.1403     -0.00000
     32       8.1766     -0.00000
     33       8.4555     -0.00000
     34       8.8399     -0.00000
     35       8.9988     -0.00000
     36       9.0041     -0.00000
     37       9.1426     -0.00000
     38       9.3630     -0.00000
     39       9.3653     -0.00000
     40       9.7065     -0.00000
     41      10.0287      0.00000
     42      10.0724      0.00000
     43      10.3579      0.00000
     44      10.5605      0.00000

 k-point    52 :       0.4286    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.5413      2.00000
      2       1.6861      2.00000
      3       1.7523      2.00000
      4       1.8964      2.00000
      5       2.1602      2.00000
      6       2.3042      2.00000
      7       2.3901      2.00000
      8       2.4196      2.00000
      9       2.5310      2.00000
     10       2.5610      2.00000
     11       2.6592      2.00000
     12       2.7963      2.00000
     13       3.5844      2.00000
     14       3.6484      2.00000
     15       3.7380      2.00000
     16       3.7627      2.00001
     17       3.9045      2.00053
     18       3.9717      2.00264
     19       4.0182      2.00688
     20       4.1670      2.05585
     21       5.6009     -0.00000
     22       5.6812     -0.00000
     23       5.7725     -0.00000
     24       5.8237     -0.00000
     25       6.8532     -0.00000
     26       6.8976     -0.00000
     27       6.9628     -0.00000
     28       7.0788     -0.00000
     29       7.8026     -0.00000
     30       7.8448     -0.00000
     31       7.9611     -0.00000
     32       7.9802     -0.00000
     33       8.6152     -0.00000
     34       8.8856     -0.00000
     35       9.1764     -0.00000
     36       9.1902     -0.00000
     37       9.3328     -0.00000
     38       9.3513     -0.00000
     39       9.4527     -0.00000
     40       9.6447     -0.00000
     41      10.3328      0.00000
     42      10.5517      0.00000
     43      10.6133      0.00000
     44      10.9304      0.00000

 k-point    53 :       0.0000    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.4026      2.00000
      2       1.6147      2.00000
      3       1.7660      2.00000
      4       1.9929      2.00000
      5       2.4454      2.00000
      6       2.4846      2.00000
      7       2.5191      2.00000
      8       2.6527      2.00000
      9       2.7091      2.00000
     10       2.8094      2.00000
     11       2.8149      2.00000
     12       2.8572      2.00000
     13       3.0104      2.00000
     14       3.0536      2.00000
     15       3.3805      2.00000
     16       3.4289      2.00000
     17       3.5211      2.00000
     18       3.5485      2.00000
     19       3.6833      2.00000
     20       3.9481      2.00155
     21       6.4076     -0.00000
     22       6.5570     -0.00000
     23       6.6203     -0.00000
     24       6.8374     -0.00000
     25       7.2592     -0.00000
     26       7.2945     -0.00000
     27       7.4836     -0.00000
     28       7.5377     -0.00000
     29       7.6282     -0.00000
     30       7.6320     -0.00000
     31       7.7781     -0.00000
     32       7.9859     -0.00000
     33       8.3572     -0.00000
     34       8.6980     -0.00000
     35       8.8408     -0.00000
     36       9.0586     -0.00000
     37       9.2219     -0.00000
     38       9.2422     -0.00000
     39       9.5221     -0.00000
     40       9.7084     -0.00000
     41       9.8085     -0.00000
     42       9.8425     -0.00000
     43       9.8482     -0.00000
     44      10.1694      0.00000

 k-point    54 :       0.1429    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.4219      2.00000
      2       1.6341      2.00000
      3       1.7859      2.00000
      4       2.0122      2.00000
      5       2.1681      2.00000
      6       2.3692      2.00000
      7       2.5230      2.00000
      8       2.5777      2.00000
      9       2.7292      2.00000
     10       2.7736      2.00000
     11       2.9009      2.00000
     12       3.0127      2.00000
     13       3.1435      2.00000
     14       3.2298      2.00000
     15       3.3081      2.00000
     16       3.4045      2.00000
     17       3.5942      2.00000
     18       3.6554      2.00000
     19       3.7171      2.00000
     20       3.9635      2.00220
     21       6.2242     -0.00000
     22       6.2308     -0.00000
     23       6.5344     -0.00000
     24       6.6017     -0.00000
     25       7.0829     -0.00000
     26       7.0952     -0.00000
     27       7.4745     -0.00000
     28       7.5097     -0.00000
     29       7.7374     -0.00000
     30       7.8345     -0.00000
     31       7.9241     -0.00000
     32       8.0792     -0.00000
     33       8.4049     -0.00000
     34       8.6647     -0.00000
     35       8.8411     -0.00000
     36       9.0717     -0.00000
     37       9.1509     -0.00000
     38       9.3002     -0.00000
     39       9.6322     -0.00000
     40       9.7333     -0.00000
     41       9.7643     -0.00000
     42       9.9720      0.00000
     43      10.1587      0.00000
     44      10.3074      0.00000

 k-point    55 :       0.2857    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.4806      2.00000
      2       1.6931      2.00000
      3       1.8460      2.00000
      4       1.9191      2.00000
      5       2.0754      2.00000
      6       2.1317      2.00000
      7       2.2884      2.00000
      8       2.5118      2.00000
      9       2.6256      2.00000
     10       2.8592      2.00000
     11       3.0031      2.00000
     12       3.1717      2.00000
     13       3.2917      2.00000
     14       3.3843      2.00000
     15       3.4929      2.00000
     16       3.5773      2.00000
     17       3.7203      2.00000
     18       3.7484      2.00000
     19       3.8285      2.00006
     20       4.0034      2.00515
     21       5.7757     -0.00000
     22       5.8515     -0.00000
     23       6.0769     -0.00000
     24       6.0831     -0.00000
     25       7.0720     -0.00000
     26       7.0916     -0.00000
     27       7.2550     -0.00000
     28       7.4140     -0.00000
     29       7.7848     -0.00000
     30       7.8411     -0.00000
     31       8.1074     -0.00000
     32       8.2019     -0.00000
     33       8.3980     -0.00000
     34       8.7609     -0.00000
     35       8.9475     -0.00000
     36       9.1363     -0.00000
     37       9.2144     -0.00000
     38       9.3812     -0.00000
     39       9.6750     -0.00000
     40       9.8695     -0.00000
     41       9.9006     -0.00000
     42      10.1054      0.00000
     43      10.4993      0.00000
     44      10.7128      0.00000

 k-point    56 :       0.4286    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.5807      2.00000
      2       1.7259      2.00000
      3       1.7933      2.00000
      4       1.9312      2.00000
      5       1.9562      2.00000
      6       2.0965      2.00000
      7       2.1758      2.00000
      8       2.3228      2.00000
      9       2.7185      2.00000
     10       2.8487      2.00000
     11       2.9505      2.00000
     12       3.0701      2.00000
     13       3.5857      2.00000
     14       3.6393      2.00000
     15       3.6792      2.00000
     16       3.7039      2.00000
     17       3.7813      2.00001
     18       3.8950      2.00041
     19       3.9009      2.00048
     20       4.0200      2.00713
     21       5.5039     -0.00000
     22       5.5731     -0.00000
     23       5.6637     -0.00000
     24       5.6724     -0.00000
     25       7.0644     -0.00000
     26       7.1134     -0.00000
     27       7.1205     -0.00000
     28       7.3639     -0.00000
     29       7.7981     -0.00000
     30       7.8670     -0.00000
     31       8.0382     -0.00000
     32       8.0519     -0.00000
     33       8.4287     -0.00000
     34       8.9875     -0.00000
     35       9.0575     -0.00000
     36       9.2990     -0.00000
     37       9.3394     -0.00000
     38       9.4837     -0.00000
     39       9.5306     -0.00000
     40       9.7630     -0.00000
     41      10.1195      0.00000
     42      10.3374      0.00000
     43      10.6345      0.00000
     44      10.8785      0.00000

 k-point    57 :       0.0000    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.4811      2.00000
      2       1.6014      2.00000
      3       1.6970      2.00000
      4       1.8225      2.00000
      5       2.5194      2.00000
      6       2.5647      2.00000
      7       2.6199      2.00000
      8       2.6723      2.00000
      9       2.7318      2.00000
     10       2.7785      2.00000
     11       2.8570      2.00000
     12       2.8853      2.00000
     13       2.9607      2.00000
     14       3.1892      2.00000
     15       3.3205      2.00000
     16       3.5095      2.00000
     17       3.5632      2.00000
     18       3.6007      2.00000
     19       3.6021      2.00000
     20       3.6043      2.00000
     21       6.4554     -0.00000
     22       6.4955     -0.00000
     23       6.5491     -0.00000
     24       6.6316     -0.00000
     25       7.0896     -0.00000
     26       7.1147     -0.00000
     27       7.4498     -0.00000
     28       7.5109     -0.00000
     29       7.9185     -0.00000
     30       7.9366     -0.00000
     31       7.9654     -0.00000
     32       7.9964     -0.00000
     33       8.5078     -0.00000
     34       8.6938     -0.00000
     35       8.8118     -0.00000
     36       8.9404     -0.00000
     37       9.2527     -0.00000
     38       9.3891     -0.00000
     39       9.4233     -0.00000
     40       9.5383     -0.00000
     41      10.2085      0.00000
     42      10.3395      0.00000
     43      10.3882      0.00000
     44      10.5423      0.00000

 k-point    58 :       0.1429    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.5006      2.00000
      2       1.6210      2.00000
      3       1.7168      2.00000
      4       1.8424      2.00000
      5       2.2463      2.00000
      6       2.3640      2.00000
      7       2.4604      2.00000
      8       2.5825      2.00000
      9       2.8831      2.00000
     10       2.8937      2.00000
     11       3.0030      2.00000
     12       3.1320      2.00000
     13       3.1347      2.00000
     14       3.2357      2.00000
     15       3.3703      2.00000
     16       3.4310      2.00000
     17       3.5641      2.00000
     18       3.6101      2.00000
     19       3.6123      2.00000
     20       3.6339      2.00000
     21       6.2412     -0.00000
     22       6.2521     -0.00000
     23       6.3740     -0.00000
     24       6.3937     -0.00000
     25       7.1163     -0.00000
     26       7.1525     -0.00000
     27       7.4303     -0.00000
     28       7.4751     -0.00000
     29       7.9387     -0.00000
     30       7.9503     -0.00000
     31       8.0073     -0.00000
     32       8.0592     -0.00000
     33       8.6189     -0.00000
     34       8.6643     -0.00000
     35       8.8296     -0.00000
     36       9.0588     -0.00000
     37       9.2867     -0.00000
     38       9.3516     -0.00000
     39       9.5160     -0.00000
     40       9.6040     -0.00000
     41      10.2167      0.00000
     42      10.3310      0.00000
     43      10.4825      0.00000
     44      10.6516      0.00000

 k-point    59 :       0.2857    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.5597      2.00000
      2       1.6804      2.00000
      3       1.7766      2.00000
      4       1.9018      2.00000
      5       2.0018      2.00000
      6       2.1215      2.00000
      7       2.2194      2.00000
      8       2.3447      2.00000
      9       2.9611      2.00000
     10       3.1426      2.00000
     11       3.2437      2.00000
     12       3.2566      2.00000
     13       3.3569      2.00000
     14       3.3971      2.00000
     15       3.4836      2.00000
     16       3.4983      2.00000
     17       3.5599      2.00000
     18       3.6526      2.00000
     19       3.6620      2.00000
     20       3.7025      2.00000
     21       5.7849     -0.00000
     22       5.8484     -0.00000
     23       5.9085     -0.00000
     24       5.9517     -0.00000
     25       7.1878     -0.00000
     26       7.2013     -0.00000
     27       7.4074     -0.00000
     28       7.4825     -0.00000
     29       7.8858     -0.00000
     30       7.9207     -0.00000
     31       7.9987     -0.00000
     32       8.1656     -0.00000
     33       8.7071     -0.00000
     34       8.7349     -0.00000
     35       8.9427     -0.00000
     36       9.1648     -0.00000
     37       9.3439     -0.00000
     38       9.3623     -0.00000
     39       9.5932     -0.00000
     40       9.6525     -0.00000
     41      10.3106      0.00000
     42      10.4405      0.00000
     43      10.6132      0.00000
     44      10.8166      0.00000

 k-point    60 :       0.4286    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.6603      2.00000
      2       1.7812      2.00000
      3       1.8061      2.00000
      4       1.8763      2.00000
      5       1.9304      2.00000
      6       2.0052      2.00000
      7       2.0261      2.00000
      8       2.1525      2.00000
      9       3.0459      2.00000
     10       3.1536      2.00000
     11       3.2451      2.00000
     12       3.2984      2.00000
     13       3.4569      2.00000
     14       3.4945      2.00000
     15       3.5438      2.00000
     16       3.6179      2.00000
     17       3.7145      2.00000
     18       3.7933      2.00002
     19       3.8213      2.00005
     20       3.8296      2.00007
     21       5.4614     -0.00000
     22       5.5109     -0.00000
     23       5.5293     -0.00000
     24       5.5657     -0.00000
     25       7.2155     -0.00000
     26       7.2452     -0.00000
     27       7.3998     -0.00000
     28       7.5345     -0.00000
     29       7.8642     -0.00000
     30       7.9210     -0.00000
     31       7.9527     -0.00000
     32       8.1008     -0.00000
     33       8.6504     -0.00000
     34       8.9215     -0.00000
     35       9.0933     -0.00000
     36       9.1390     -0.00000
     37       9.3926     -0.00000
     38       9.4407     -0.00000
     39       9.5338     -0.00000
     40       9.5995     -0.00000
     41      10.4093      0.00000
     42      10.5774      0.00000
     43      10.7153      0.00000
     44      10.9058      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
  1.204   5.375  -0.004   0.012   0.004
  5.375  22.973  -0.014   0.044   0.015
 -0.004  -0.014  -0.240  -0.001   0.002
  0.012   0.044  -0.001  -0.249  -0.000
  0.004   0.015   0.002  -0.000  -0.241
 total augmentation occupancy for first ion, spin component:           1
  2.390  -0.037   0.038  -0.111  -0.040
 -0.037   0.001  -0.002   0.003   0.002
  0.038  -0.002   0.221  -0.007   0.011
 -0.111   0.003  -0.007   0.139   0.002
 -0.040   0.002   0.011   0.002   0.209


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


    CHARGE:  cpu time    0.1641: real time    0.1641
    FORLOC:  cpu time    0.0093: real time    0.0093
    FORNL :  cpu time   13.3614: real time   13.3637
    STRESS:  cpu time    5.1058: real time    5.1063
    FORCOR:  cpu time    0.0288: real time    0.0288
    FORHAR:  cpu time    0.0206: real time    0.0206
    MIXING:  cpu time    0.0045: real time    0.0045
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    14.67152    14.67152    14.67152
  Ewald    -143.49331  -148.60624  -130.79184     0.00000     0.00000    -0.00000
  Hartree     1.18520     0.69054     1.05883    -0.00000    -0.00000     0.00000
  E(xc)    -108.54126  -108.98734  -107.80161     0.00000     0.00000    -0.00000
  Local       7.67659     2.22292    11.57316     0.00000     0.00000    -0.00000
  n-local   130.57318   131.20302   128.17263     0.01946     0.07459    -0.21216
  augment     7.40002     7.55134     7.08039    -0.00000    -0.00000     0.00000
  Kinetic   215.49437   225.98518   200.78942     0.07419    -1.13861    -0.90100
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     124.96631   124.73093   124.75249     0.00000     0.00000     0.00000
  in kB     700.82145   699.50141   699.62234     0.00000     0.00000     0.00000
  external pressure =       -0.02 kB  Pullay stress =      700.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      650.00
  volume of cell :      285.69
      direct lattice vectors                 reciprocal lattice vectors
     6.891162190  0.000000000  0.000000000     0.145113404  0.000000000  0.000000000
     0.000000000  8.166632104  0.000000000     0.000000000  0.122449498  0.000000000
     0.000000000  0.000000000  5.076456596     0.000000000  0.000000000  0.196987797

  length of vectors
     6.891162190  8.166632104  5.076456596     0.145113404  0.122449498  0.196987797


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.339E-01 0.992E-01 -.261E+00   -.441E+00 0.357E+00 -.115E+01   0.477E+00 -.457E+00 0.142E+01   0.141E-06 -.518E-06 -.869E-06
   0.339E-01 -.992E-01 -.261E+00   0.441E+00 -.357E+00 -.115E+01   -.477E+00 0.457E+00 0.142E+01   -.141E-06 0.518E-06 -.869E-06
   -.339E-01 -.992E-01 -.261E+00   -.441E+00 -.357E+00 -.115E+01   0.477E+00 0.457E+00 0.142E+01   0.141E-06 0.518E-06 -.869E-06
   0.339E-01 0.992E-01 -.261E+00   0.441E+00 0.357E+00 -.115E+01   -.477E+00 -.457E+00 0.142E+01   -.141E-06 -.518E-06 -.869E-06
   -.339E-01 0.992E-01 -.261E+00   -.441E+00 0.357E+00 -.115E+01   0.477E+00 -.457E+00 0.142E+01   0.141E-06 -.518E-06 -.869E-06
   0.339E-01 -.992E-01 -.261E+00   0.441E+00 -.357E+00 -.115E+01   -.477E+00 0.457E+00 0.142E+01   -.141E-06 0.518E-06 -.869E-06
   -.339E-01 -.992E-01 -.261E+00   -.441E+00 -.357E+00 -.115E+01   0.477E+00 0.457E+00 0.142E+01   0.141E-06 0.518E-06 -.869E-06
   0.339E-01 0.992E-01 -.261E+00   0.441E+00 0.357E+00 -.115E+01   -.477E+00 -.457E+00 0.142E+01   -.141E-06 -.518E-06 -.869E-06
   -.222E-01 -.358E-01 0.131E+00   -.408E-01 -.231E+00 0.713E+00   0.681E-01 0.266E+00 -.849E+00   -.622E-06 0.134E-06 0.337E-06
   0.222E-01 0.358E-01 0.131E+00   0.408E-01 0.231E+00 0.713E+00   -.681E-01 -.266E+00 -.849E+00   0.622E-06 -.134E-06 0.337E-06
   -.222E-01 0.358E-01 0.131E+00   -.408E-01 0.231E+00 0.713E+00   0.681E-01 -.266E+00 -.849E+00   -.623E-06 -.134E-06 0.337E-06
   0.222E-01 -.358E-01 0.131E+00   0.408E-01 -.231E+00 0.713E+00   -.681E-01 0.266E+00 -.849E+00   0.623E-06 0.134E-06 0.337E-06
   -.222E-01 -.358E-01 0.131E+00   -.408E-01 -.231E+00 0.713E+00   0.681E-01 0.266E+00 -.849E+00   -.622E-06 0.134E-06 0.336E-06
   0.222E-01 0.358E-01 0.131E+00   0.408E-01 0.231E+00 0.713E+00   -.681E-01 -.266E+00 -.849E+00   0.622E-06 -.134E-06 0.336E-06
   -.222E-01 0.358E-01 0.131E+00   -.408E-01 0.231E+00 0.713E+00   0.681E-01 -.266E+00 -.849E+00   -.623E-06 -.134E-06 0.336E-06
   0.222E-01 -.358E-01 0.131E+00   0.408E-01 -.231E+00 0.713E+00   -.681E-01 0.266E+00 -.849E+00   0.623E-06 0.134E-06 0.336E-06
   -.279E+00 -.158E+00 0.266E-01   -.647E+00 -.251E-01 0.651E-01   0.923E+00 0.188E+00 -.101E+00   0.265E-06 -.747E-06 0.750E-06
   0.279E+00 0.158E+00 0.266E-01   0.647E+00 0.251E-01 0.651E-01   -.923E+00 -.188E+00 -.101E+00   -.265E-06 0.747E-06 0.750E-06
   -.279E+00 0.158E+00 0.266E-01   -.647E+00 0.251E-01 0.651E-01   0.923E+00 -.188E+00 -.101E+00   0.265E-06 0.747E-06 0.750E-06
   0.279E+00 -.158E+00 0.266E-01   0.647E+00 -.251E-01 0.651E-01   -.923E+00 0.188E+00 -.101E+00   -.265E-06 -.747E-06 0.750E-06
   -.279E+00 -.158E+00 0.266E-01   -.647E+00 -.251E-01 0.651E-01   0.923E+00 0.188E+00 -.101E+00   0.265E-06 -.747E-06 0.750E-06
   0.279E+00 0.158E+00 0.266E-01   0.647E+00 0.251E-01 0.651E-01   -.923E+00 -.188E+00 -.101E+00   -.265E-06 0.747E-06 0.750E-06
   -.279E+00 0.158E+00 0.266E-01   -.647E+00 0.251E-01 0.651E-01   0.923E+00 -.188E+00 -.101E+00   0.265E-06 0.747E-06 0.750E-06
   0.279E+00 -.158E+00 0.266E-01   0.647E+00 -.251E-01 0.651E-01   -.923E+00 0.188E+00 -.101E+00   -.265E-06 -.747E-06 0.750E-06
   -.531E-01 -.656E-01 0.128E-01   -.196E+00 0.598E-01 0.394E-01   0.247E+00 0.163E-02 -.492E-01   0.738E-07 -.617E-06 -.147E-07
   0.531E-01 0.656E-01 0.128E-01   0.196E+00 -.598E-01 0.394E-01   -.247E+00 -.163E-02 -.492E-01   -.738E-07 0.617E-06 -.147E-07
   -.531E-01 0.656E-01 0.128E-01   -.196E+00 -.598E-01 0.394E-01   0.247E+00 -.163E-02 -.492E-01   0.738E-07 0.617E-06 -.147E-07
   0.531E-01 -.656E-01 0.128E-01   0.196E+00 0.598E-01 0.394E-01   -.247E+00 0.163E-02 -.492E-01   -.738E-07 -.617E-06 -.147E-07
   -.531E-01 -.656E-01 0.128E-01   -.196E+00 0.598E-01 0.394E-01   0.247E+00 0.163E-02 -.492E-01   0.738E-07 -.617E-06 -.147E-07
   0.531E-01 0.656E-01 0.128E-01   0.196E+00 -.598E-01 0.394E-01   -.247E+00 -.163E-02 -.492E-01   -.738E-07 0.617E-06 -.147E-07
   -.531E-01 0.656E-01 0.128E-01   -.196E+00 -.598E-01 0.394E-01   0.247E+00 -.163E-02 -.492E-01   0.738E-07 0.617E-06 -.147E-07
   0.531E-01 -.656E-01 0.128E-01   0.196E+00 0.598E-01 0.394E-01   -.247E+00 0.163E-02 -.492E-01   -.738E-07 -.617E-06 -.147E-07
   0.432E-01 0.157E+00 0.990E-01   0.211E+00 -.139E+00 0.334E+00   -.247E+00 -.593E-02 -.427E+00   0.617E-06 0.767E-06 -.191E-06
   -.432E-01 -.157E+00 0.990E-01   -.211E+00 0.139E+00 0.334E+00   0.247E+00 0.593E-02 -.427E+00   -.617E-06 -.767E-06 -.191E-06
   0.432E-01 -.157E+00 0.990E-01   0.211E+00 0.139E+00 0.334E+00   -.247E+00 0.593E-02 -.427E+00   0.617E-06 -.767E-06 -.191E-06
   -.432E-01 0.157E+00 0.990E-01   -.211E+00 -.139E+00 0.334E+00   0.247E+00 -.593E-02 -.427E+00   -.617E-06 0.767E-06 -.191E-06
   0.432E-01 0.157E+00 0.990E-01   0.211E+00 -.139E+00 0.334E+00   -.247E+00 -.593E-02 -.427E+00   0.617E-06 0.767E-06 -.191E-06
   -.432E-01 -.157E+00 0.990E-01   -.211E+00 0.139E+00 0.334E+00   0.247E+00 0.593E-02 -.427E+00   -.617E-06 -.767E-06 -.191E-06
   0.432E-01 -.157E+00 0.990E-01   0.211E+00 0.139E+00 0.334E+00   -.247E+00 0.593E-02 -.427E+00   0.617E-06 -.767E-06 -.191E-06
   -.432E-01 0.157E+00 0.990E-01   -.211E+00 -.139E+00 0.334E+00   0.247E+00 -.593E-02 -.427E+00   -.617E-06 0.767E-06 -.191E-06
 -----------------------------------------------------------------------------------------------
   -.287E-04 0.240E-04 0.680E-01   -.777E-15 -.111E-14 0.333E-14   0.139E-15 -.226E-15 -.689E-01   0.820E-13 -.493E-12 0.926E-07
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.64081      0.95039     -0.00237         0.002194     -0.000492      0.004955
      6.25036      7.21624     -0.00237        -0.002194      0.000492      0.004955
      4.08639      3.13292     -0.00237         0.002194      0.000492      0.004955
      2.80478      5.03371     -0.00237        -0.002194     -0.000492      0.004955
      0.64081      5.03371      2.53586         0.002194     -0.000492      0.004955
      6.25036      3.13292      2.53586        -0.002194      0.000492      0.004955
      4.08639      7.21624      2.53586         0.002194      0.000492      0.004955
      2.80478      0.95039      2.53586        -0.002194     -0.000492      0.004955
      5.94913      7.37461      1.59277         0.005173     -0.001582     -0.004768
      0.94204      0.79202      1.59277        -0.005173      0.001582     -0.004768
      2.50354      4.87534      1.59277         0.005173      0.001582     -0.004768
      4.38762      3.29129      1.59277        -0.005173     -0.001582     -0.004768
      5.94913      3.29129      4.13100         0.005173     -0.001582     -0.004768
      0.94204      4.87534      4.13100        -0.005173      0.001582     -0.004768
      2.50354      0.79202      4.13100         0.005173      0.001582     -0.004768
      4.38762      7.37461      4.13100        -0.005173     -0.001582     -0.004768
      6.66743      0.95564      3.01520        -0.003399      0.004525     -0.008990
      0.22373      7.21100      3.01520         0.003399     -0.004525     -0.008990
      3.22185      3.12768      3.01520        -0.003399     -0.004525     -0.008990
      3.66931      5.03895      3.01520         0.003399      0.004525     -0.008990
      6.66743      5.03895      0.47697        -0.003399      0.004525     -0.008990
      0.22373      3.12768      0.47697         0.003399     -0.004525     -0.008990
      3.22185      7.21100      0.47697        -0.003399     -0.004525     -0.008990
      3.66931      0.95564      0.47697         0.003399      0.004525     -0.008990
      2.41807      2.18928      0.89606        -0.002013     -0.004248      0.003140
      4.47309      5.97735      0.89606         0.002013      0.004248      0.003140
      5.86365      1.89404      0.89606        -0.002013      0.004248      0.003140
      1.02751      6.27260      0.89606         0.002013     -0.004248      0.003140
      2.41807      6.27260      3.43429        -0.002013     -0.004248      0.003140
      4.47309      1.89404      3.43429         0.002013      0.004248      0.003140
      5.86365      5.97735      3.43429        -0.002013      0.004248      0.003140
      1.02751      2.18928      3.43429         0.002013     -0.004248      0.003140
      2.00201      7.44528      1.91392         0.007778      0.011456      0.005663
      4.88915      0.72136      1.91392        -0.007778     -0.011456      0.005663
      5.44760      4.80467      1.91392         0.007778     -0.011456      0.005663
      1.44357      3.36196      1.91392        -0.007778      0.011456      0.005663
      2.00201      3.36196      4.45215         0.007778      0.011456      0.005663
      4.88915      4.80467      4.45215        -0.007778     -0.011456      0.005663
      5.44760      0.72136      4.45215         0.007778     -0.011456      0.005663
      1.44357      7.44528      4.45215        -0.007778      0.011456      0.005663
 -----------------------------------------------------------------------------------
    total drift:                               -0.000029      0.000024     -0.000854


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -16.90701204 eV

  energy  without entropy=      -16.91712928  energy(sigma->0) =      -16.91038445
  enthalpy is  TOTEN    =       107.91282123 eV   P V=      124.81983327

 d Force = 0.3808944E-03[ 0.268E-03, 0.494E-03]  d Energy = 0.5139779E-03-0.133E-03
 d Force = 0.1145774E-01[ 0.113E-01, 0.116E-01]  d Ewald  = 0.7938155E-02 0.352E-02


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


    POTLOK:  cpu time    0.0275: real time    0.0281


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


 Conjugate gradient step on ions:
 trial-energy change:   -0.000514  1 .order   -0.000512   -0.000649   -0.000375
  (g-gl).g = 0.554E-03      g.g   = 0.556E-03  gl.gl    = 0.197E-02
 g(Force)  = 0.453E-03   g(Stress)= 0.103E-03 ortho     = 0.125E-05
 gamma     =   0.28131
 trial     =   1.16644
 opt step  =   2.76829  (harmonic =   2.76829) maximal distance =0.00249349
 next E    =   107.912565   (d E  =  -0.00077)


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


    WAVPRE:  cpu time    0.0064: real time    0.0064
 FEWALD executed in parallel
    FEWALD:  cpu time    0.0016: real time    0.0026
    GENKIN:  cpu time    0.0236: real time    0.0236
    ORTHCH:  cpu time    0.5333: real time    0.5334
     LOOP+:  cpu time   46.8310: real time   46.8452


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


    POTLOK:  cpu time    0.0209: real time    0.0209
    SETDIJ:  cpu time    0.0056: real time    0.0056
     EDDAV:  cpu time    5.0047: real time    5.0053
       DOS:  cpu time    0.0075: real time    0.0075
    CHARGE:  cpu time    0.1695: real time    0.1695
    MIXING:  cpu time    0.0032: real time    0.0032
    --------------------------------------------
      LOOP:  cpu time    5.2136: real time    5.2152

 eigenvalue-minimisations  :  5924
 total energy-change (2. order) :-0.4126556E-02  (-0.7178984E-03)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9508048 magnetization 

  free energy =  -0.169111385950E+02  energy without entropy=  -0.169211950867E+02


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




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


    POTLOK:  cpu time    0.0208: real time    0.0208
    SETDIJ:  cpu time    0.0059: real time    0.0059
     EDDAV:  cpu time    5.3981: real time    5.3986
       DOS:  cpu time    0.0079: real time    0.0079
    CHARGE:  cpu time    0.1693: real time    0.1694
    MIXING:  cpu time    0.0037: real time    0.0037
    --------------------------------------------
      LOOP:  cpu time    5.6066: real time    5.6073

 eigenvalue-minimisations  :  6544
 total energy-change (2. order) : 0.9127986E-05  (-0.1383291E-04)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9508353 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8159
  1.8159

  free energy =  -0.169111294670E+02  energy without entropy=  -0.169211718029E+02


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




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


    POTLOK:  cpu time    0.0214: real time    0.0214
    SETDIJ:  cpu time    0.0059: real time    0.0059
     EDDAV:  cpu time    5.4598: real time    5.4604
       DOS:  cpu time    0.0072: real time    0.0072
    CHARGE:  cpu time    0.1658: real time    0.1658
    MIXING:  cpu time    0.0039: real time    0.0039
    --------------------------------------------
      LOOP:  cpu time    5.6650: real time    5.6656

 eigenvalue-minimisations  :  6588
 total energy-change (2. order) : 0.3280755E-05  (-0.9494073E-06)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9508410 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8329
  1.2633  2.4024

  free energy =  -0.169111261862E+02  energy without entropy=  -0.169211583855E+02


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




----------------------------------------- Iteration    8(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0220: real time    0.0220
    SETDIJ:  cpu time    0.0059: real time    0.0059
     EDDAV:  cpu time    4.0878: real time    4.0883
       DOS:  cpu time    0.0073: real time    0.0073
    CHARGE:  cpu time    0.1702: real time    0.1703
    MIXING:  cpu time    0.0038: real time    0.0038
    --------------------------------------------
      LOOP:  cpu time    4.2981: real time    4.2986

 eigenvalue-minimisations  :  4048
 total energy-change (2. order) :-0.5362223E-06  (-0.1658201E-06)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9508430 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8804
  1.0411  2.7115  1.8884

  free energy =  -0.169111267225E+02  energy without entropy=  -0.169211570676E+02


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




----------------------------------------- Iteration    8(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0212: real time    0.0212
    SETDIJ:  cpu time    0.0060: real time    0.0060
     EDDAV:  cpu time    3.5342: real time    3.5345
       DOS:  cpu time    0.0072: real time    0.0072
    CHARGE:  cpu time    0.1757: real time    0.1757
    MIXING:  cpu time    0.0043: real time    0.0043
    --------------------------------------------
      LOOP:  cpu time    3.7495: real time    3.7499

 eigenvalue-minimisations  :  3068
 total energy-change (2. order) :-0.2050353E-07  (-0.1205818E-07)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9508432 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8101
  2.8107  0.9979  1.4632  1.9689

  free energy =  -0.169111267430E+02  energy without entropy=  -0.169211577364E+02


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




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


    POTLOK:  cpu time    0.0208: real time    0.0208
    SETDIJ:  cpu time    0.0058: real time    0.0058
     EDDAV:  cpu time    3.4947: real time    3.4951
       DOS:  cpu time    0.0069: real time    0.0069
    --------------------------------------------
      LOOP:  cpu time    3.5292: real time    3.5296

 eigenvalue-minimisations  :  2984
 total energy-change (2. order) : 0.2645152E-08  (-0.1517759E-08)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9508432 magnetization 

  free energy =  -0.169111267403E+02  energy without entropy=  -0.169211577551E+02


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




 average (electrostatic) potential at core
  the test charge radii are     0.9748
  (the norm of the test charge is              1.0000)
       1 -25.9633       2 -25.9633       3 -25.9633       4 -25.9633       5 -25.9633
       6 -25.9633       7 -25.9633       8 -25.9633       9 -25.8887      10 -25.8887
      11 -25.8887      12 -25.8887      13 -25.8887      14 -25.8887      15 -25.8887
      16 -25.8887      17 -25.9196      18 -25.9196      19 -25.9196      20 -25.9196
      21 -25.9196      22 -25.9196      23 -25.9196      24 -25.9196      25 -25.8388
      26 -25.8388      27 -25.8388      28 -25.8388      29 -25.8388      30 -25.8388
      31 -25.8388      32 -25.8388      33 -26.0267      34 -26.0267      35 -26.0267
      36 -26.0267      37 -26.0267      38 -26.0267      39 -26.0267      40 -26.0267
 
 
 
 E-fermi :   4.4677     XC(G=0):  -9.5547     alpha+bet :-20.5627


 k-point     1 :       0.0000    0.0833    0.0500
  band No.  band energies     occupation 
      1       0.9614      2.00000
      2       1.5062      2.00000
      3       1.7428      2.00000
      4       1.9968      2.00000
      5       2.0351      2.00000
      6       2.5139      2.00000
      7       2.6185      2.00000
      8       2.7678      2.00000
      9       2.8678      2.00000
     10       2.9221      2.00000
     11       3.2169      2.00000
     12       3.2729      2.00000
     13       3.3977      2.00000
     14       3.4287      2.00000
     15       3.5211      2.00000
     16       3.6244      2.00000
     17       3.8454      2.00010
     18       4.1869      2.06326
     19       4.2135      2.07030
     20       4.3901      1.60525
     21       5.5227     -0.00000
     22       5.7235     -0.00000
     23       5.9213     -0.00000
     24       6.0983     -0.00000
     25       6.2153     -0.00000
     26       6.2851     -0.00000
     27       6.5469     -0.00000
     28       7.1239     -0.00000
     29       7.1288     -0.00000
     30       7.2550     -0.00000
     31       7.3725     -0.00000
     32       7.4178     -0.00000
     33       8.0629     -0.00000
     34       8.1363     -0.00000
     35       8.8152     -0.00000
     36       8.9484     -0.00000
     37       9.2293     -0.00000
     38       9.4230     -0.00000
     39       9.8011     -0.00000
     40       9.8362     -0.00000
     41      10.0934      0.00000
     42      10.2988      0.00000
     43      10.5468      0.00000
     44      10.8091      0.00000

 k-point     2 :       0.1429    0.0833    0.0500
  band No.  band energies     occupation 
      1       0.9797      2.00000
      2       1.5263      2.00000
      3       1.7088      2.00000
      4       1.7636      2.00000
      5       2.2736      2.00000
      6       2.3869      2.00000
      7       2.5254      2.00000
      8       2.8660      2.00000
      9       2.9624      2.00000
     10       3.1451      2.00000
     11       3.2446      2.00000
     12       3.2864      2.00000
     13       3.3722      2.00000
     14       3.4337      2.00000
     15       3.5505      2.00000
     16       3.6282      2.00000
     17       3.7803      2.00001
     18       4.0618      2.01452
     19       4.2344      2.06978
     20       4.4354      1.26927
     21       5.4165     -0.00000
     22       5.5758     -0.00000
     23       5.8858     -0.00000
     24       5.9950     -0.00000
     25       6.1412     -0.00000
     26       6.5306     -0.00000
     27       6.6190     -0.00000
     28       6.8223     -0.00000
     29       7.1058     -0.00000
     30       7.2437     -0.00000
     31       7.2959     -0.00000
     32       7.3900     -0.00000
     33       8.3214     -0.00000
     34       8.3738     -0.00000
     35       8.8287     -0.00000
     36       8.8770     -0.00000
     37       9.2508     -0.00000
     38       9.4175     -0.00000
     39       9.7424     -0.00000
     40       9.9179     -0.00000
     41      10.0608      0.00000
     42      10.1625      0.00000
     43      10.8446      0.00000
     44      10.9303      0.00000

 k-point     3 :       0.2857    0.0833    0.0500
  band No.  band energies     occupation 
      1       1.0357      2.00000
      2       1.4632      2.00000
      3       1.5872      2.00000
      4       1.8261      2.00000
      5       2.0331      2.00000
      6       2.2820      2.00000
      7       2.8190      2.00000
      8       2.9651      2.00000
      9       3.2366      2.00000
     10       3.2665      2.00000
     11       3.3201      2.00000
     12       3.3327      2.00000
     13       3.4295      2.00000
     14       3.5251      2.00000
     15       3.5776      2.00000
     16       3.6256      2.00000
     17       3.7306      2.00000
     18       3.8480      2.00011
     19       4.1572      2.05053
     20       4.3423      1.86353
     21       5.3227     -0.00000
     22       5.4247     -0.00000
     23       5.7771     -0.00000
     24       5.8401     -0.00000
     25       5.8850     -0.00000
     26       6.2309     -0.00000
     27       6.7661     -0.00000
     28       7.0268     -0.00000
     29       7.1111     -0.00000
     30       7.2216     -0.00000
     31       7.2621     -0.00000
     32       7.5421     -0.00000
     33       8.4667     -0.00000
     34       8.4938     -0.00000
     35       8.7486     -0.00000
     36       8.8976     -0.00000
     37       9.2037     -0.00000
     38       9.3229     -0.00000
     39       9.7953     -0.00000
     40       9.8737     -0.00000
     41      10.1486      0.00000
     42      10.3495      0.00000
     43      11.0131      0.00000
     44      11.1423      0.00000

 k-point     4 :       0.4286    0.0833    0.0500
  band No.  band energies     occupation 
      1       1.1320      2.00000
      2       1.2727      2.00000
      3       1.6901      2.00000
      4       1.8364      2.00000
      5       1.9349      2.00000
      6       2.0846      2.00000
      7       3.0509      2.00000
      8       3.1554      2.00000
      9       3.2956      2.00000
     10       3.3901      2.00000
     11       3.4318      2.00000
     12       3.4475      2.00000
     13       3.5045      2.00000
     14       3.5152      2.00000
     15       3.6399      2.00000
     16       3.6499      2.00000
     17       3.7125      2.00000
     18       3.7688      2.00001
     19       3.9168      2.00069
     20       4.1146      2.03156
     21       5.3539     -0.00000
     22       5.4758     -0.00000
     23       5.6331     -0.00000
     24       5.6524     -0.00000
     25       5.7614     -0.00000
     26       5.7718     -0.00000
     27       6.9635     -0.00000
     28       7.1216     -0.00000
     29       7.1513     -0.00000
     30       7.1627     -0.00000
     31       7.6150     -0.00000
     32       7.8549     -0.00000
     33       8.1301     -0.00000
     34       8.2075     -0.00000
     35       8.8789     -0.00000
     36       8.9434     -0.00000
     37       9.0986     -0.00000
     38       9.1794     -0.00000
     39       9.7999     -0.00000
     40       9.8731     -0.00000
     41      10.4423      0.00000
     42      10.5386      0.00000
     43      11.2353      0.00000
     44      11.3463      0.00000

 k-point     5 :       0.0000    0.2500    0.0500
  band No.  band energies     occupation 
      1       0.9949      2.00000
      2       1.3158      2.00000
      3       2.0228      2.00000
      4       2.0286      2.00000
      5       2.0719      2.00000
      6       2.3362      2.00000
      7       2.4281      2.00000
      8       2.9393      2.00000
      9       3.0139      2.00000
     10       3.0521      2.00000
     11       3.1384      2.00000
     12       3.2035      2.00000
     13       3.4028      2.00000
     14       3.4943      2.00000
     15       3.5116      2.00000
     16       3.6948      2.00000
     17       3.7567      2.00001
     18       4.0150      2.00623
     19       4.0372      2.00947
     20       4.2325      2.07013
     21       5.6692     -0.00000
     22       5.8031     -0.00000
     23       5.9714     -0.00000
     24       6.2082     -0.00000
     25       6.3165     -0.00000
     26       6.4267     -0.00000
     27       6.5098     -0.00000
     28       6.7774     -0.00000
     29       7.2794     -0.00000
     30       7.3181     -0.00000
     31       7.3872     -0.00000
     32       7.6373     -0.00000
     33       8.0156     -0.00000
     34       8.1598     -0.00000
     35       8.8891     -0.00000
     36       9.0366     -0.00000
     37       9.0713     -0.00000
     38       9.2217     -0.00000
     39       9.5247     -0.00000
     40       9.8574     -0.00000
     41       9.9063     -0.00000
     42      10.3837      0.00000
     43      10.4889      0.00000
     44      10.9137      0.00000

 k-point     6 :       0.1429    0.2500    0.0500
  band No.  band energies     occupation 
      1       1.0134      2.00000
      2       1.3353      2.00000
      3       1.7439      2.00000
      4       2.0352      2.00000
      5       2.0907      2.00000
      6       2.4184      2.00000
      7       2.7269      2.00000
      8       2.8123      2.00000
      9       2.9724      2.00000
     10       3.0417      2.00000
     11       3.2199      2.00000
     12       3.3507      2.00000
     13       3.3975      2.00000
     14       3.5029      2.00000
     15       3.5334      2.00000
     16       3.6986      2.00000
     17       3.7079      2.00000
     18       3.8316      2.00007
     19       4.1150      2.03174
     20       4.2769      2.03932
     21       5.5518     -0.00000
     22       5.7308     -0.00000
     23       5.9358     -0.00000
     24       6.0576     -0.00000
     25       6.2352     -0.00000
     26       6.4861     -0.00000
     27       6.6339     -0.00000
     28       6.7148     -0.00000
     29       7.1594     -0.00000
     30       7.3091     -0.00000
     31       7.3292     -0.00000
     32       7.6126     -0.00000
     33       8.2553     -0.00000
     34       8.3390     -0.00000
     35       8.8875     -0.00000
     36       8.9958     -0.00000
     37       9.0191     -0.00000
     38       9.2265     -0.00000
     39       9.6118     -0.00000
     40       9.8109     -0.00000
     41       9.9234     -0.00000
     42      10.4444      0.00000
     43      10.5081      0.00000
     44      11.0303      0.00000

 k-point     7 :       0.2857    0.2500    0.0500
  band No.  band energies     occupation 
      1       1.0697      2.00000
      2       1.3944      2.00000
      3       1.4984      2.00000
      4       1.8331      2.00000
      5       2.1146      2.00000
      6       2.5750      2.00000
      7       2.8405      2.00000
      8       2.9915      2.00000
      9       3.1265      2.00000
     10       3.1342      2.00000
     11       3.2675      2.00000
     12       3.3053      2.00000
     13       3.4743      2.00000
     14       3.5348      2.00000
     15       3.6142      2.00000
     16       3.6199      2.00000
     17       3.6790      2.00000
     18       3.7287      2.00000
     19       4.0527      2.01244
     20       4.2323      2.07017
     21       5.3938     -0.00000
     22       5.6599     -0.00000
     23       5.7628     -0.00000
     24       5.8260     -0.00000
     25       6.1119     -0.00000
     26       6.1918     -0.00000
     27       6.6125     -0.00000
     28       7.0660     -0.00000
     29       7.1115     -0.00000
     30       7.3582     -0.00000
     31       7.4869     -0.00000
     32       7.5520     -0.00000
     33       8.3438     -0.00000
     34       8.5049     -0.00000
     35       8.7850     -0.00000
     36       8.8782     -0.00000
     37       9.0397     -0.00000
     38       9.1585     -0.00000
     39       9.6299     -0.00000
     40       9.7943     -0.00000
     41      10.1338      0.00000
     42      10.5635      0.00000
     43      10.7107      0.00000
     44      11.2231      0.00000

 k-point     8 :       0.4286    0.2500    0.0500
  band No.  band energies     occupation 
      1       1.1664      2.00000
      2       1.3076      2.00000
      3       1.4952      2.00000
      4       1.6404      2.00000
      5       2.2237      2.00000
      6       2.3775      2.00000
      7       3.0873      2.00000
      8       3.1959      2.00000
      9       3.2138      2.00000
     10       3.3124      2.00000
     11       3.3737      2.00000
     12       3.4108      2.00000
     13       3.4337      2.00000
     14       3.4443      2.00000
     15       3.5520      2.00000
     16       3.6270      2.00000
     17       3.7481      2.00000
     18       3.7694      2.00001
     19       3.8490      2.00011
     20       4.0095      2.00560
     21       5.4146     -0.00000
     22       5.6043     -0.00000
     23       5.6079     -0.00000
     24       5.7823     -0.00000
     25       5.7917     -0.00000
     26       5.9726     -0.00000
     27       6.7815     -0.00000
     28       6.9521     -0.00000
     29       7.3339     -0.00000
     30       7.4420     -0.00000
     31       7.7199     -0.00000
     32       7.7963     -0.00000
     33       8.1409     -0.00000
     34       8.1803     -0.00000
     35       8.8311     -0.00000
     36       8.8851     -0.00000
     37       8.9634     -0.00000
     38       9.0516     -0.00000
     39       9.6096     -0.00000
     40       9.7741     -0.00000
     41      10.4155      0.00000
     42      10.5904      0.00000
     43      11.1525      0.00000
     44      11.3598      0.00000

 k-point     9 :       0.0000    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.0634      2.00000
      2       1.1693      2.00000
      3       2.0938      2.00000
      4       2.1455      2.00000
      5       2.1953      2.00000
      6       2.2409      2.00000
      7       2.3777      2.00000
      8       2.7004      2.00000
      9       3.0149      2.00000
     10       3.1071      2.00000
     11       3.3422      2.00000
     12       3.4353      2.00000
     13       3.4384      2.00000
     14       3.4786      2.00000
     15       3.6005      2.00000
     16       3.6009      2.00000
     17       3.7438      2.00000
     18       3.7825      2.00001
     19       3.8311      2.00006
     20       4.0210      2.00700
     21       5.9199     -0.00000
     22       5.9359     -0.00000
     23       6.0813     -0.00000
     24       6.1440     -0.00000
     25       6.2019     -0.00000
     26       6.4209     -0.00000
     27       6.6334     -0.00000
     28       6.9214     -0.00000
     29       6.9844     -0.00000
     30       7.2492     -0.00000
     31       7.5964     -0.00000
     32       7.8535     -0.00000
     33       8.1804     -0.00000
     34       8.3702     -0.00000
     35       8.5110     -0.00000
     36       9.0131     -0.00000
     37       9.0855     -0.00000
     38       9.1492     -0.00000
     39       9.3038     -0.00000
     40       9.5887     -0.00000
     41       9.9334      0.00000
     42      10.0467      0.00000
     43      10.7465      0.00000
     44      10.9215      0.00000

 k-point    10 :       0.1429    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.0821      2.00000
      2       1.1883      2.00000
      3       1.8153      2.00000
      4       1.9250      2.00000
      5       2.3661      2.00000
      6       2.4783      2.00000
      7       2.6006      2.00000
      8       2.7310      2.00000
      9       3.0341      2.00000
     10       3.1256      2.00000
     11       3.1433      2.00000
     12       3.4383      2.00000
     13       3.4872      2.00000
     14       3.4925      2.00000
     15       3.5017      2.00000
     16       3.6166      2.00000
     17       3.6892      2.00000
     18       3.8400      2.00008
     19       3.9165      2.00068
     20       4.0490      2.01168
     21       5.7484     -0.00000
     22       5.9200     -0.00000
     23       5.9524     -0.00000
     24       6.1160     -0.00000
     25       6.2373     -0.00000
     26       6.3628     -0.00000
     27       6.5641     -0.00000
     28       6.9079     -0.00000
     29       6.9942     -0.00000
     30       7.2060     -0.00000
     31       7.6248     -0.00000
     32       7.9845     -0.00000
     33       8.1797     -0.00000
     34       8.4834     -0.00000
     35       8.5597     -0.00000
     36       8.9922     -0.00000
     37       9.0190     -0.00000
     38       9.2528     -0.00000
     39       9.2663     -0.00000
     40       9.5520     -0.00000
     41       9.9945      0.00000
     42      10.1149      0.00000
     43      10.7635      0.00000
     44      10.9710      0.00000

 k-point    11 :       0.2857    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.1390      2.00000
      2       1.2461      2.00000
      3       1.5701      2.00000
      4       1.6808      2.00000
      5       2.4391      2.00000
      6       2.7691      2.00000
      7       2.9104      2.00000
      8       2.9298      2.00000
      9       2.9810      2.00000
     10       3.1075      2.00000
     11       3.1798      2.00000
     12       3.2726      2.00000
     13       3.3758      2.00000
     14       3.4610      2.00000
     15       3.5314      2.00000
     16       3.6037      2.00000
     17       3.7426      2.00000
     18       3.8952      2.00039
     19       3.8986      2.00043
     20       4.0753      2.01804
     21       5.5228     -0.00000
     22       5.6496     -0.00000
     23       5.8830     -0.00000
     24       6.0508     -0.00000
     25       6.0687     -0.00000
     26       6.3501     -0.00000
     27       6.4286     -0.00000
     28       6.7698     -0.00000
     29       7.2569     -0.00000
     30       7.3857     -0.00000
     31       7.7224     -0.00000
     32       8.0583     -0.00000
     33       8.0940     -0.00000
     34       8.4823     -0.00000
     35       8.5865     -0.00000
     36       8.8660     -0.00000
     37       8.9571     -0.00000
     38       9.2796     -0.00000
     39       9.2891     -0.00000
     40       9.5578     -0.00000
     41      10.2163      0.00000
     42      10.4010      0.00000
     43      10.7634      0.00000
     44      11.0204      0.00000

 k-point    12 :       0.4286    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.2366      2.00000
      2       1.3451      2.00000
      3       1.3787      2.00000
      4       1.4886      2.00000
      5       2.5543      2.00000
      6       2.7126      2.00000
      7       2.9049      2.00000
      8       3.0702      2.00000
      9       3.1541      2.00000
     10       3.2393      2.00000
     11       3.2694      2.00000
     12       3.3592      2.00000
     13       3.3818      2.00000
     14       3.4137      2.00000
     15       3.6070      2.00000
     16       3.6800      2.00000
     17       3.6815      2.00000
     18       3.7707      2.00001
     19       3.8242      2.00005
     20       3.8951      2.00039
     21       5.5029     -0.00000
     22       5.5634     -0.00000
     23       5.6850     -0.00000
     24       5.7576     -0.00000
     25       6.1304     -0.00000
     26       6.2805     -0.00000
     27       6.4797     -0.00000
     28       6.6330     -0.00000
     29       7.5623     -0.00000
     30       7.6980     -0.00000
     31       7.8015     -0.00000
     32       8.0100     -0.00000
     33       8.0222     -0.00000
     34       8.3186     -0.00000
     35       8.4294     -0.00000
     36       8.6251     -0.00000
     37       9.0282     -0.00000
     38       9.2573     -0.00000
     39       9.3188     -0.00000
     40       9.5374     -0.00000
     41      10.5078      0.00000
     42      10.6919      0.00000
     43      10.7641      0.00000
     44      10.9637      0.00000

 k-point    13 :       0.0000    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.0006      2.00000
      2       1.5534      2.00000
      3       1.7930      2.00000
      4       2.0375      2.00000
      5       2.0779      2.00000
      6       2.4869      2.00000
      7       2.5789      2.00000
      8       2.6620      2.00000
      9       2.8076      2.00000
     10       2.9045      2.00000
     11       3.0759      2.00000
     12       3.2875      2.00000
     13       3.3078      2.00000
     14       3.3417      2.00000
     15       3.4483      2.00000
     16       3.7634      2.00001
     17       3.8612      2.00016
     18       4.0066      2.00528
     19       4.0464      2.01116
     20       4.1718      2.05711
     21       5.7510     -0.00000
     22       5.9504     -0.00000
     23       6.1821     -0.00000
     24       6.4581     -0.00000
     25       6.4965     -0.00000
     26       6.5670     -0.00000
     27       6.5964     -0.00000
     28       6.7537     -0.00000
     29       7.1569     -0.00000
     30       7.2674     -0.00000
     31       7.3683     -0.00000
     32       7.3907     -0.00000
     33       8.1446     -0.00000
     34       8.4586     -0.00000
     35       8.9309     -0.00000
     36       9.0480     -0.00000
     37       9.0487     -0.00000
     38       9.5704     -0.00000
     39       9.7986     -0.00000
     40       9.8140     -0.00000
     41      10.0005      0.00000
     42      10.0141      0.00000
     43      10.3994      0.00000
     44      10.4528      0.00000

 k-point    14 :       0.1429    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.0190      2.00000
      2       1.5735      2.00000
      3       1.7504      2.00000
      4       1.8136      2.00000
      5       2.3167      2.00000
      6       2.4277      2.00000
      7       2.5195      2.00000
      8       2.5694      2.00000
      9       2.9477      2.00000
     10       3.0921      2.00000
     11       3.1428      2.00000
     12       3.1920      2.00000
     13       3.3069      2.00000
     14       3.3755      2.00000
     15       3.5875      2.00000
     16       3.6586      2.00000
     17       3.8739      2.00022
     18       3.9620      2.00204
     19       4.0872      2.02162
     20       4.1558      2.04990
     21       5.6957     -0.00000
     22       5.7997     -0.00000
     23       6.1174     -0.00000
     24       6.3404     -0.00000
     25       6.3849     -0.00000
     26       6.4764     -0.00000
     27       6.7116     -0.00000
     28       6.7693     -0.00000
     29       7.1565     -0.00000
     30       7.2333     -0.00000
     31       7.2700     -0.00000
     32       7.4429     -0.00000
     33       8.3035     -0.00000
     34       8.5316     -0.00000
     35       8.9140     -0.00000
     36       9.0160     -0.00000
     37       9.0654     -0.00000
     38       9.5864     -0.00000
     39       9.8101     -0.00000
     40       9.8865     -0.00000
     41       9.8971     -0.00000
     42      10.0983      0.00000
     43      10.6383      0.00000
     44      10.7104      0.00000

 k-point    15 :       0.2857    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.0753      2.00000
      2       1.5043      2.00000
      3       1.6341      2.00000
      4       1.8756      2.00000
      5       2.0779      2.00000
      6       2.3253      2.00000
      7       2.5804      2.00000
      8       2.8555      2.00000
      9       2.9705      2.00000
     10       3.1405      2.00000
     11       3.2848      2.00000
     12       3.3585      2.00000
     13       3.4514      2.00000
     14       3.4748      2.00000
     15       3.5347      2.00000
     16       3.7438      2.00000
     17       3.8105      2.00003
     18       3.9048      2.00051
     19       4.0073      2.00536
     20       4.1169      2.03252
     21       5.4545     -0.00000
     22       5.7636     -0.00000
     23       5.9831     -0.00000
     24       5.9921     -0.00000
     25       6.1223     -0.00000
     26       6.2917     -0.00000
     27       6.7070     -0.00000
     28       7.0373     -0.00000
     29       7.0446     -0.00000
     30       7.1658     -0.00000
     31       7.3100     -0.00000
     32       7.6840     -0.00000
     33       8.3475     -0.00000
     34       8.4227     -0.00000
     35       8.9425     -0.00000
     36       9.0466     -0.00000
     37       9.0837     -0.00000
     38       9.4828     -0.00000
     39       9.8834     -0.00000
     40      10.0856      0.00000
     41      10.1093      0.00000
     42      10.3080      0.00000
     43      10.9720      0.00000
     44      11.1168      0.00000

 k-point    16 :       0.4286    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.1720      2.00000
      2       1.3133      2.00000
      3       1.7367      2.00000
      4       1.8828      2.00000
      5       1.9825      2.00000
      6       2.1308      2.00000
      7       2.6758      2.00000
      8       2.8075      2.00000
      9       3.2088      2.00000
     10       3.3066      2.00000
     11       3.3431      2.00000
     12       3.5043      2.00000
     13       3.5550      2.00000
     14       3.6316      2.00000
     15       3.6367      2.00000
     16       3.6484      2.00000
     17       3.7952      2.00002
     18       3.8639      2.00017
     19       3.8729      2.00022
     20       3.9230      2.00080
     21       5.4357     -0.00000
     22       5.6568     -0.00000
     23       5.7272     -0.00000
     24       5.7894     -0.00000
     25       5.9834     -0.00000
     26       6.1828     -0.00000
     27       6.7381     -0.00000
     28       6.8705     -0.00000
     29       7.1491     -0.00000
     30       7.1981     -0.00000
     31       7.6109     -0.00000
     32       7.9442     -0.00000
     33       8.0286     -0.00000
     34       8.1838     -0.00000
     35       9.0749     -0.00000
     36       9.1361     -0.00000
     37       9.1797     -0.00000
     38       9.3421     -0.00000
     39       9.9013     -0.00000
     40      10.0793      0.00000
     41      10.3594      0.00000
     42      10.4594      0.00000
     43      11.2228      0.00000
     44      11.3301      0.00000

 k-point    17 :       0.0000    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.0347      2.00000
      2       1.3604      2.00000
      3       2.0698      2.00000
      4       2.0765      2.00000
      5       2.1152      2.00000
      6       2.3758      2.00000
      7       2.4721      2.00000
      8       2.5524      2.00000
      9       2.9075      2.00000
     10       3.0634      2.00000
     11       3.0802      2.00000
     12       3.1649      2.00000
     13       3.3562      2.00000
     14       3.5072      2.00000
     15       3.5131      2.00000
     16       3.6710      2.00000
     17       3.8496      2.00011
     18       3.8803      2.00026
     19       3.9377      2.00115
     20       4.0441      2.01072
     21       5.8346     -0.00000
     22       6.0135     -0.00000
     23       6.0522     -0.00000
     24       6.3270     -0.00000
     25       6.4857     -0.00000
     26       6.6027     -0.00000
     27       6.6725     -0.00000
     28       6.7906     -0.00000
     29       7.3566     -0.00000
     30       7.3901     -0.00000
     31       7.4725     -0.00000
     32       7.6360     -0.00000
     33       8.1732     -0.00000
     34       8.3016     -0.00000
     35       8.7380     -0.00000
     36       8.9258     -0.00000
     37       9.2061     -0.00000
     38       9.4222     -0.00000
     39       9.6132     -0.00000
     40       9.7105     -0.00000
     41       9.8165     -0.00000
     42      10.3283      0.00000
     43      10.3664      0.00000
     44      10.9195      0.00000

 k-point    18 :       0.1429    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.0532      2.00000
      2       1.3799      2.00000
      3       1.7859      2.00000
      4       2.0874      2.00000
      5       2.1355      2.00000
      6       2.4599      2.00000
      7       2.5629      2.00000
      8       2.7804      2.00000
      9       2.8469      2.00000
     10       2.9265      2.00000
     11       3.1072      2.00000
     12       3.2037      2.00000
     13       3.4006      2.00000
     14       3.4989      2.00000
     15       3.5918      2.00000
     16       3.6459      2.00000
     17       3.7967      2.00002
     18       3.8658      2.00018
     19       3.9761      2.00279
     20       4.0997      2.02587
     21       5.7307     -0.00000
     22       5.9570     -0.00000
     23       5.9695     -0.00000
     24       6.2219     -0.00000
     25       6.3041     -0.00000
     26       6.5910     -0.00000
     27       6.6442     -0.00000
     28       6.9058     -0.00000
     29       7.2362     -0.00000
     30       7.3786     -0.00000
     31       7.4978     -0.00000
     32       7.6251     -0.00000
     33       8.3505     -0.00000
     34       8.3539     -0.00000
     35       8.8286     -0.00000
     36       8.9017     -0.00000
     37       9.1860     -0.00000
     38       9.3938     -0.00000
     39       9.6118     -0.00000
     40       9.7303     -0.00000
     41       9.8929     -0.00000
     42      10.3996      0.00000
     43      10.5322      0.00000
     44      10.9492      0.00000

 k-point    19 :       0.2857    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.1098      2.00000
      2       1.4391      2.00000
      3       1.5400      2.00000
      4       1.8778      2.00000
      5       2.1660      2.00000
      6       2.6092      2.00000
      7       2.6290      2.00000
      8       2.8781      2.00000
      9       2.9835      2.00000
     10       3.0189      2.00000
     11       3.1557      2.00000
     12       3.1873      2.00000
     13       3.3653      2.00000
     14       3.6060      2.00000
     15       3.6185      2.00000
     16       3.6462      2.00000
     17       3.7930      2.00002
     18       3.9073      2.00054
     19       3.9476      2.00146
     20       4.1100      2.02975
     21       5.4763     -0.00000
     22       5.8316     -0.00000
     23       5.9080     -0.00000
     24       5.9622     -0.00000
     25       6.0238     -0.00000
     26       6.5227     -0.00000
     27       6.5328     -0.00000
     28       7.0135     -0.00000
     29       7.1667     -0.00000
     30       7.4113     -0.00000
     31       7.6232     -0.00000
     32       7.6737     -0.00000
     33       8.3210     -0.00000
     34       8.4397     -0.00000
     35       8.8544     -0.00000
     36       8.9000     -0.00000
     37       9.2574     -0.00000
     38       9.2869     -0.00000
     39       9.6409     -0.00000
     40       9.9852      0.00000
     41      10.0809      0.00000
     42      10.5208      0.00000
     43      10.7644      0.00000
     44      11.1237      0.00000

 k-point    20 :       0.4286    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.2070      2.00000
      2       1.3487      2.00000
      3       1.5399      2.00000
      4       1.6852      2.00000
      5       2.2727      2.00000
      6       2.4227      2.00000
      7       2.7197      2.00000
      8       2.8552      2.00000
      9       3.0703      2.00000
     10       3.1921      2.00000
     11       3.2804      2.00000
     12       3.3893      2.00000
     13       3.4534      2.00000
     14       3.5019      2.00000
     15       3.6825      2.00000
     16       3.7082      2.00000
     17       3.7902      2.00002
     18       3.8828      2.00028
     19       3.9271      2.00089
     20       3.9316      2.00099
     21       5.4062     -0.00000
     22       5.6809     -0.00000
     23       5.6821     -0.00000
     24       5.7635     -0.00000
     25       6.0484     -0.00000
     26       6.3746     -0.00000
     27       6.5952     -0.00000
     28       6.7773     -0.00000
     29       7.3032     -0.00000
     30       7.4610     -0.00000
     31       7.8065     -0.00000
     32       7.8942     -0.00000
     33       8.1572     -0.00000
     34       8.1725     -0.00000
     35       8.9537     -0.00000
     36       9.0178     -0.00000
     37       9.1651     -0.00000
     38       9.3238     -0.00000
     39       9.6144     -0.00000
     40      10.0507      0.00000
     41      10.3227      0.00000
     42      10.5088      0.00000
     43      11.1184      0.00000
     44      11.2413      0.00000

 k-point    21 :       0.0000    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.1043      2.00000
      2       1.2118      2.00000
      3       2.1357      2.00000
      4       2.1896      2.00000
      5       2.2375      2.00000
      6       2.2888      2.00000
      7       2.4310      2.00000
      8       2.6321      2.00000
      9       2.7530      2.00000
     10       2.7614      2.00000
     11       3.3241      2.00000
     12       3.4380      2.00000
     13       3.4672      2.00000
     14       3.4999      2.00000
     15       3.6394      2.00000
     16       3.6433      2.00000
     17       3.6838      2.00000
     18       3.7714      2.00001
     19       3.8113      2.00004
     20       3.8374      2.00008
     21       5.9352     -0.00000
     22       6.0713     -0.00000
     23       6.0856     -0.00000
     24       6.2002     -0.00000
     25       6.3491     -0.00000
     26       6.3532     -0.00000
     27       6.9610     -0.00000
     28       7.1322     -0.00000
     29       7.2254     -0.00000
     30       7.3976     -0.00000
     31       7.7203     -0.00000
     32       8.0391     -0.00000
     33       8.0974     -0.00000
     34       8.3650     -0.00000
     35       8.4356     -0.00000
     36       9.0089     -0.00000
     37       9.1290     -0.00000
     38       9.1914     -0.00000
     39       9.3971     -0.00000
     40       9.5534     -0.00000
     41       9.9185     -0.00000
     42      10.0573      0.00000
     43      10.7274      0.00000
     44      10.9206      0.00000

 k-point    22 :       0.1429    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.1231      2.00000
      2       1.2309      2.00000
      3       1.8581      2.00000
      4       1.9687      2.00000
      5       2.4221      2.00000
      6       2.5211      2.00000
      7       2.6231      2.00000
      8       2.6732      2.00000
      9       2.7675      2.00000
     10       2.7964      2.00000
     11       3.1524      2.00000
     12       3.3047      2.00000
     13       3.3886      2.00000
     14       3.5141      2.00000
     15       3.6163      2.00000
     16       3.7004      2.00000
     17       3.7503      2.00000
     18       3.8239      2.00005
     19       3.8503      2.00011
     20       3.9628      2.00208
     21       5.8728     -0.00000
     22       5.9579     -0.00000
     23       6.0154     -0.00000
     24       6.1362     -0.00000
     25       6.1406     -0.00000
     26       6.3497     -0.00000
     27       6.9256     -0.00000
     28       7.1535     -0.00000
     29       7.1923     -0.00000
     30       7.4155     -0.00000
     31       7.7010     -0.00000
     32       8.0447     -0.00000
     33       8.1401     -0.00000
     34       8.5088     -0.00000
     35       8.5673     -0.00000
     36       8.9790     -0.00000
     37       9.0923     -0.00000
     38       9.1943     -0.00000
     39       9.4020     -0.00000
     40       9.5895     -0.00000
     41       9.9946      0.00000
     42      10.1687      0.00000
     43      10.7332      0.00000
     44      10.9469      0.00000

 k-point    23 :       0.2857    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.1802      2.00000
      2       1.2889      2.00000
      3       1.6126      2.00000
      4       1.7243      2.00000
      5       2.4926      2.00000
      6       2.7069      2.00000
      7       2.8161      2.00000
      8       2.8337      2.00000
      9       2.9396      2.00000
     10       2.9808      2.00000
     11       3.0454      2.00000
     12       3.1159      2.00000
     13       3.2127      2.00000
     14       3.3182      2.00000
     15       3.7458      2.00000
     16       3.7489      2.00000
     17       3.8350      2.00007
     18       3.8792      2.00026
     19       3.9446      2.00136
     20       4.0388      2.00976
     21       5.6113     -0.00000
     22       5.7843     -0.00000
     23       5.7957     -0.00000
     24       5.8717     -0.00000
     25       6.1345     -0.00000
     26       6.3212     -0.00000
     27       6.7554     -0.00000
     28       6.9285     -0.00000
     29       7.3822     -0.00000
     30       7.5734     -0.00000
     31       7.7671     -0.00000
     32       8.0937     -0.00000
     33       8.0992     -0.00000
     34       8.5235     -0.00000
     35       8.6795     -0.00000
     36       8.9508     -0.00000
     37       9.0214     -0.00000
     38       9.2214     -0.00000
     39       9.5050     -0.00000
     40       9.7667     -0.00000
     41      10.1785      0.00000
     42      10.4151      0.00000
     43      10.7175      0.00000
     44      10.9958      0.00000

 k-point    24 :       0.4286    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.2782      2.00000
      2       1.3881      2.00000
      3       1.4208      2.00000
      4       1.5319      2.00000
      5       2.6025      2.00000
      6       2.7501      2.00000
      7       2.8083      2.00000
      8       2.9136      2.00000
      9       2.9503      2.00000
     10       2.9597      2.00000
     11       3.0553      2.00000
     12       3.1375      2.00000
     13       3.4013      2.00000
     14       3.4463      2.00000
     15       3.7272      2.00000
     16       3.7532      2.00001
     17       3.8362      2.00008
     18       3.8822      2.00028
     19       3.9439      2.00134
     20       3.9571      2.00182
     21       5.4825     -0.00000
     22       5.6055     -0.00000
     23       5.6509     -0.00000
     24       5.6877     -0.00000
     25       6.2464     -0.00000
     26       6.4233     -0.00000
     27       6.5255     -0.00000
     28       6.6497     -0.00000
     29       7.5420     -0.00000
     30       7.7582     -0.00000
     31       7.7915     -0.00000
     32       8.0405     -0.00000
     33       8.1919     -0.00000
     34       8.4649     -0.00000
     35       8.6182     -0.00000
     36       8.8477     -0.00000
     37       9.0593     -0.00000
     38       9.2689     -0.00000
     39       9.5406     -0.00000
     40       9.8229     -0.00000
     41      10.4307      0.00000
     42      10.6257      0.00000
     43      10.7247      0.00000
     44      10.9425      0.00000

 k-point    25 :       0.0000    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.0797      2.00000
      2       1.6479      2.00000
      3       1.8931      2.00000
      4       2.1192      2.00000
      5       2.1428      2.00000
      6       2.1622      2.00000
      7       2.6437      2.00000
      8       2.7474      2.00000
      9       2.7897      2.00000
     10       2.8580      2.00000
     11       2.9737      2.00000
     12       3.0642      2.00000
     13       3.1428      2.00000
     14       3.1899      2.00000
     15       3.4204      2.00000
     16       3.6183      2.00000
     17       3.7456      2.00000
     18       3.8204      2.00005
     19       3.8902      2.00035
     20       4.2465      2.06585
     21       6.0892     -0.00000
     22       6.1867     -0.00000
     23       6.2540     -0.00000
     24       6.6179     -0.00000
     25       6.9010     -0.00000
     26       6.9958     -0.00000
     27       7.0136     -0.00000
     28       7.0749     -0.00000
     29       7.2646     -0.00000
     30       7.3169     -0.00000
     31       7.3489     -0.00000
     32       7.3814     -0.00000
     33       8.1463     -0.00000
     34       8.5809     -0.00000
     35       8.6033     -0.00000
     36       9.1245     -0.00000
     37       9.2489     -0.00000
     38       9.5631     -0.00000
     39       9.6518     -0.00000
     40       9.7079     -0.00000
     41       9.8368     -0.00000
     42      10.0629      0.00000
     43      10.2170      0.00000
     44      10.3436      0.00000

 k-point    26 :       0.1429    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.0983      2.00000
      2       1.6678      2.00000
      3       1.8338      2.00000
      4       1.9132      2.00000
      5       2.1630      2.00000
      6       2.4053      2.00000
      7       2.5068      2.00000
      8       2.6389      2.00000
      9       2.8098      2.00000
     10       2.8895      2.00000
     11       3.0267      2.00000
     12       3.0851      2.00000
     13       3.2229      2.00000
     14       3.4175      2.00000
     15       3.4594      2.00000
     16       3.4808      2.00000
     17       3.7212      2.00000
     18       3.9025      2.00048
     19       3.9222      2.00079
     20       4.2494      2.06442
     21       5.9579     -0.00000
     22       6.1190     -0.00000
     23       6.1270     -0.00000
     24       6.5202     -0.00000
     25       6.6586     -0.00000
     26       6.9261     -0.00000
     27       6.9637     -0.00000
     28       7.0979     -0.00000
     29       7.1821     -0.00000
     30       7.2692     -0.00000
     31       7.3577     -0.00000
     32       7.5548     -0.00000
     33       8.2903     -0.00000
     34       8.5396     -0.00000
     35       8.7391     -0.00000
     36       9.0400     -0.00000
     37       9.2362     -0.00000
     38       9.4638     -0.00000
     39       9.7442     -0.00000
     40       9.7836     -0.00000
     41       9.9753      0.00000
     42      10.2294      0.00000
     43      10.4181      0.00000
     44      10.5700      0.00000

 k-point    27 :       0.2857    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.1551      2.00000
      2       1.5870      2.00000
      3       1.7280      2.00000
      4       1.9736      2.00000
      5       2.1661      2.00000
      6       2.2256      2.00000
      7       2.4095      2.00000
      8       2.6615      2.00000
      9       2.8445      2.00000
     10       2.9449      2.00000
     11       3.1402      2.00000
     12       3.2608      2.00000
     13       3.3538      2.00000
     14       3.5010      2.00000
     15       3.5231      2.00000
     16       3.5781      2.00000
     17       3.7500      2.00000
     18       3.8688      2.00019
     19       4.0160      2.00636
     20       4.2408      2.06809
     21       5.6033     -0.00000
     22       5.9688     -0.00000
     23       5.9979     -0.00000
     24       6.2130     -0.00000
     25       6.4300     -0.00000
     26       6.6893     -0.00000
     27       6.8600     -0.00000
     28       6.8718     -0.00000
     29       7.2290     -0.00000
     30       7.2827     -0.00000
     31       7.4850     -0.00000
     32       7.7681     -0.00000
     33       8.3021     -0.00000
     34       8.3109     -0.00000
     35       9.0212     -0.00000
     36       9.0990     -0.00000
     37       9.3125     -0.00000
     38       9.4922     -0.00000
     39       9.8329     -0.00000
     40      10.0103      0.00000
     41      10.2227      0.00000
     42      10.5019      0.00000
     43      10.7178      0.00000
     44      10.9546      0.00000

 k-point    28 :       0.4286    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.2527      2.00000
      2       1.3950      2.00000
      3       1.8298      2.00000
      4       1.9750      2.00000
      5       2.0763      2.00000
      6       2.2198      2.00000
      7       2.3288      2.00000
      8       2.4737      2.00000
      9       2.9439      2.00000
     10       3.0692      2.00000
     11       3.2579      2.00000
     12       3.3607      2.00000
     13       3.4523      2.00000
     14       3.6120      2.00000
     15       3.6425      2.00000
     16       3.6703      2.00000
     17       3.7607      2.00001
     18       3.8472      2.00010
     19       4.0007      2.00469
     20       4.1715      2.05699
     21       5.5215     -0.00000
     22       5.7548     -0.00000
     23       5.8218     -0.00000
     24       5.8917     -0.00000
     25       6.4895     -0.00000
     26       6.5473     -0.00000
     27       6.6145     -0.00000
     28       6.7647     -0.00000
     29       7.2646     -0.00000
     30       7.3119     -0.00000
     31       7.7105     -0.00000
     32       7.9121     -0.00000
     33       8.0509     -0.00000
     34       8.0778     -0.00000
     35       9.2873     -0.00000
     36       9.3400     -0.00000
     37       9.4110     -0.00000
     38       9.5251     -0.00000
     39       9.8975     -0.00000
     40      10.2084      0.00000
     41      10.2735      0.00000
     42      10.3438      0.00000
     43      11.0839      0.00000
     44      11.2438      0.00000

 k-point    29 :       0.0000    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.1149      2.00000
      2       1.4501      2.00000
      3       2.1526      2.00000
      4       2.1828      2.00000
      5       2.1860      2.00000
      6       2.2003      2.00000
      7       2.4669      2.00000
      8       2.5588      2.00000
      9       2.5777      2.00000
     10       3.0517      2.00000
     11       3.1758      2.00000
     12       3.2057      2.00000
     13       3.2378      2.00000
     14       3.2886      2.00000
     15       3.3339      2.00000
     16       3.4961      2.00000
     17       3.6115      2.00000
     18       3.8069      2.00003
     19       3.8619      2.00016
     20       4.1464      2.04554
     21       6.0578     -0.00000
     22       6.1084     -0.00000
     23       6.3126     -0.00000
     24       6.3179     -0.00000
     25       6.8635     -0.00000
     26       6.8653     -0.00000
     27       7.0090     -0.00000
     28       7.3066     -0.00000
     29       7.3437     -0.00000
     30       7.5460     -0.00000
     31       7.6108     -0.00000
     32       7.6370     -0.00000
     33       8.1850     -0.00000
     34       8.3839     -0.00000
     35       8.5713     -0.00000
     36       9.0660     -0.00000
     37       9.3791     -0.00000
     38       9.4012     -0.00000
     39       9.6157     -0.00000
     40       9.6626     -0.00000
     41       9.9111     -0.00000
     42      10.1503      0.00000
     43      10.2166      0.00000
     44      10.6071      0.00000

 k-point    30 :       0.1429    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.1337      2.00000
      2       1.4696      2.00000
      3       1.8702      2.00000
      4       2.1826      2.00000
      5       2.2137      2.00000
      6       2.2270      2.00000
      7       2.5388      2.00000
      8       2.6003      2.00000
      9       2.8519      2.00000
     10       2.8661      2.00000
     11       2.9917      2.00000
     12       3.2155      2.00000
     13       3.2965      2.00000
     14       3.3828      2.00000
     15       3.3885      2.00000
     16       3.5433      2.00000
     17       3.7123      2.00000
     18       3.8181      2.00004
     19       3.8688      2.00019
     20       4.1535      2.04883
     21       5.9294     -0.00000
     22       6.0062     -0.00000
     23       6.1994     -0.00000
     24       6.3312     -0.00000
     25       6.5364     -0.00000
     26       6.7861     -0.00000
     27       7.0125     -0.00000
     28       7.2413     -0.00000
     29       7.3327     -0.00000
     30       7.5557     -0.00000
     31       7.6468     -0.00000
     32       7.6726     -0.00000
     33       8.3763     -0.00000
     34       8.4508     -0.00000
     35       8.6274     -0.00000
     36       9.0300     -0.00000
     37       9.2796     -0.00000
     38       9.3814     -0.00000
     39       9.6748     -0.00000
     40       9.7680     -0.00000
     41      10.0079      0.00000
     42      10.3052      0.00000
     43      10.4104      0.00000
     44      10.6781      0.00000

 k-point    31 :       0.2857    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.1907      2.00000
      2       1.5289      2.00000
      3       1.6237      2.00000
      4       1.9673      2.00000
      5       2.2480      2.00000
      6       2.2881      2.00000
      7       2.6495      2.00000
      8       2.6558      2.00000
      9       2.7547      2.00000
     10       2.9523      2.00000
     11       3.0736      2.00000
     12       3.2273      2.00000
     13       3.3080      2.00000
     14       3.4316      2.00000
     15       3.6139      2.00000
     16       3.6390      2.00000
     17       3.7516      2.00001
     18       3.8036      2.00003
     19       3.9827      2.00322
     20       4.1597      2.05167
     21       5.5745     -0.00000
     22       5.8695     -0.00000
     23       6.0009     -0.00000
     24       6.0743     -0.00000
     25       6.3665     -0.00000
     26       6.5890     -0.00000
     27       6.9519     -0.00000
     28       6.9829     -0.00000
     29       7.3909     -0.00000
     30       7.5287     -0.00000
     31       7.7392     -0.00000
     32       7.8021     -0.00000
     33       8.3215     -0.00000
     34       8.4663     -0.00000
     35       8.8530     -0.00000
     36       9.0997     -0.00000
     37       9.3453     -0.00000
     38       9.4882     -0.00000
     39       9.7133     -0.00000
     40       9.9307      0.00000
     41      10.2575      0.00000
     42      10.4249      0.00000
     43      10.7243      0.00000
     44      10.9113      0.00000

 k-point    32 :       0.4286    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.2887      2.00000
      2       1.4314      2.00000
      3       1.6297      2.00000
      4       1.7749      2.00000
      5       2.3392      2.00000
      6       2.3986      2.00000
      7       2.4757      2.00000
      8       2.5619      2.00000
      9       2.7537      2.00000
     10       2.8978      2.00000
     11       3.3363      2.00000
     12       3.4233      2.00000
     13       3.5022      2.00000
     14       3.5554      2.00000
     15       3.5587      2.00000
     16       3.6508      2.00000
     17       3.7076      2.00000
     18       3.8712      2.00021
     19       3.9989      2.00452
     20       4.1196      2.03363
     21       5.4488     -0.00000
     22       5.7288     -0.00000
     23       5.7525     -0.00000
     24       5.7703     -0.00000
     25       6.4331     -0.00000
     26       6.5293     -0.00000
     27       6.6648     -0.00000
     28       6.9202     -0.00000
     29       7.4129     -0.00000
     30       7.5456     -0.00000
     31       7.8610     -0.00000
     32       7.9219     -0.00000
     33       8.1138     -0.00000
     34       8.3097     -0.00000
     35       9.1694     -0.00000
     36       9.2656     -0.00000
     37       9.4038     -0.00000
     38       9.6001     -0.00000
     39       9.6711     -0.00000
     40      10.1107      0.00000
     41      10.3763      0.00000
     42      10.3788      0.00000
     43      10.8379      0.00000
     44      11.0375      0.00000

 k-point    33 :       0.0000    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.1867      2.00000
      2       1.2974      2.00000
      3       2.2202      2.00000
      4       2.2713      2.00000
      5       2.2764      2.00000
      6       2.3267      2.00000
      7       2.3816      2.00000
      8       2.4041      2.00000
      9       2.5374      2.00000
     10       2.8794      2.00000
     11       3.1893      2.00000
     12       3.3067      2.00000
     13       3.3214      2.00000
     14       3.4427      2.00000
     15       3.4511      2.00000
     16       3.5118      2.00000
     17       3.6095      2.00000
     18       3.7228      2.00000
     19       3.7267      2.00000
     20       3.9462      2.00141
     21       6.0019     -0.00000
     22       6.0873     -0.00000
     23       6.2676     -0.00000
     24       6.4651     -0.00000
     25       6.5451     -0.00000
     26       6.6664     -0.00000
     27       7.1510     -0.00000
     28       7.2791     -0.00000
     29       7.5463     -0.00000
     30       7.6479     -0.00000
     31       7.9854     -0.00000
     32       8.0506     -0.00000
     33       8.1623     -0.00000
     34       8.3980     -0.00000
     35       8.5057     -0.00000
     36       9.0969     -0.00000
     37       9.1743     -0.00000
     38       9.2337     -0.00000
     39       9.5303     -0.00000
     40       9.6418     -0.00000
     41       9.7790     -0.00000
     42       9.9270     -0.00000
     43      10.6746      0.00000
     44      10.8931      0.00000

 k-point    34 :       0.1429    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.2056      2.00000
      2       1.3166      2.00000
      3       1.9439      2.00000
      4       2.0562      2.00000
      5       2.2935      2.00000
      6       2.4239      2.00000
      7       2.5323      2.00000
      8       2.6058      2.00000
      9       2.7289      2.00000
     10       2.9043      2.00000
     11       2.9948      2.00000
     12       3.1348      2.00000
     13       3.2431      2.00000
     14       3.5082      2.00000
     15       3.5194      2.00000
     16       3.6300      2.00000
     17       3.6911      2.00000
     18       3.7120      2.00000
     19       3.8295      2.00006
     20       3.9615      2.00201
     21       5.9480     -0.00000
     22       5.9984     -0.00000
     23       6.0853     -0.00000
     24       6.2934     -0.00000
     25       6.4471     -0.00000
     26       6.6069     -0.00000
     27       7.1257     -0.00000
     28       7.2215     -0.00000
     29       7.5454     -0.00000
     30       7.6719     -0.00000
     31       7.9422     -0.00000
     32       8.1138     -0.00000
     33       8.2292     -0.00000
     34       8.4509     -0.00000
     35       8.6762     -0.00000
     36       9.0646     -0.00000
     37       9.1308     -0.00000
     38       9.2748     -0.00000
     39       9.5598     -0.00000
     40       9.7342     -0.00000
     41       9.8794     -0.00000
     42      10.0812      0.00000
     43      10.6625      0.00000
     44      10.8650      0.00000

 k-point    35 :       0.2857    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.2633      2.00000
      2       1.3750      2.00000
      3       1.6980      2.00000
      4       1.8118      2.00000
      5       2.3526      2.00000
      6       2.4842      2.00000
      7       2.6000      2.00000
      8       2.7792      2.00000
      9       2.8876      2.00000
     10       2.9541      2.00000
     11       3.0367      2.00000
     12       3.0588      2.00000
     13       3.1198      2.00000
     14       3.3600      2.00000
     15       3.7100      2.00000
     16       3.7108      2.00000
     17       3.7815      2.00001
     18       3.8596      2.00015
     19       3.9366      2.00112
     20       3.9991      2.00453
     21       5.6524     -0.00000
     22       5.7898     -0.00000
     23       5.8786     -0.00000
     24       5.8817     -0.00000
     25       6.4424     -0.00000
     26       6.5118     -0.00000
     27       7.0006     -0.00000
     28       7.0068     -0.00000
     29       7.6039     -0.00000
     30       7.7657     -0.00000
     31       7.9315     -0.00000
     32       8.1462     -0.00000
     33       8.2210     -0.00000
     34       8.5522     -0.00000
     35       8.7923     -0.00000
     36       9.1515     -0.00000
     37       9.1618     -0.00000
     38       9.3514     -0.00000
     39       9.7296     -0.00000
     40       9.9615      0.00000
     41      10.0278      0.00000
     42      10.3434      0.00000
     43      10.6158      0.00000
     44      10.9145      0.00000

 k-point    36 :       0.4286    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.3619      2.00000
      2       1.4746      2.00000
      3       1.5054      2.00000
      4       1.6190      2.00000
      5       2.4513      2.00000
      6       2.5837      2.00000
      7       2.5886      2.00000
      8       2.7175      2.00000
      9       2.7277      2.00000
     10       2.8616      2.00000
     11       3.0634      2.00000
     12       3.2034      2.00000
     13       3.4457      2.00000
     14       3.4962      2.00000
     15       3.7232      2.00000
     16       3.7336      2.00000
     17       3.7777      2.00001
     18       3.9270      2.00089
     19       3.9486      2.00150
     20       4.0185      2.00668
     21       5.4593     -0.00000
     22       5.5821     -0.00000
     23       5.6651     -0.00000
     24       5.6822     -0.00000
     25       6.4802     -0.00000
     26       6.5190     -0.00000
     27       6.7529     -0.00000
     28       6.8678     -0.00000
     29       7.6622     -0.00000
     30       7.8564     -0.00000
     31       7.8693     -0.00000
     32       8.0686     -0.00000
     33       8.2940     -0.00000
     34       8.6705     -0.00000
     35       8.8237     -0.00000
     36       9.0694     -0.00000
     37       9.3194     -0.00000
     38       9.4388     -0.00000
     39       9.8176     -0.00000
     40      10.0778      0.00000
     41      10.2460      0.00000
     42      10.4906      0.00000
     43      10.6235      0.00000
     44      10.8416      0.00000

 k-point    37 :       0.0000    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.2002      2.00000
      2       1.7896      2.00000
      3       1.8336      2.00000
      4       2.0418      2.00000
      5       2.2391      2.00000
      6       2.2854      2.00000
      7       2.4955      2.00000
      8       2.7377      2.00000
      9       2.7691      2.00000
     10       2.8537      2.00000
     11       2.8585      2.00000
     12       2.9076      2.00000
     13       3.0764      2.00000
     14       3.1040      2.00000
     15       3.4168      2.00000
     16       3.4282      2.00000
     17       3.6031      2.00000
     18       3.6164      2.00000
     19       3.6792      2.00000
     20       4.3707      1.72361
     21       6.1186     -0.00000
     22       6.4600     -0.00000
     23       6.5110     -0.00000
     24       7.0643     -0.00000
     25       7.1604     -0.00000
     26       7.2193     -0.00000
     27       7.2398     -0.00000
     28       7.3090     -0.00000
     29       7.4275     -0.00000
     30       7.5388     -0.00000
     31       7.5791     -0.00000
     32       7.8772     -0.00000
     33       8.1298     -0.00000
     34       8.1970     -0.00000
     35       8.5836     -0.00000
     36       9.1967     -0.00000
     37       9.3525     -0.00000
     38       9.3712     -0.00000
     39       9.4785     -0.00000
     40       9.5095     -0.00000
     41       9.6629     -0.00000
     42       9.7349     -0.00000
     43      10.0153      0.00000
     44      10.6881      0.00000

 k-point    38 :       0.1429    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.2191      2.00000
      2       1.8082      2.00000
      3       1.8543      2.00000
      4       1.9588      2.00000
      5       2.0622      2.00000
      6       2.5000      2.00000
      7       2.5171      2.00000
      8       2.6010      2.00000
      9       2.6309      2.00000
     10       2.7962      2.00000
     11       2.7970      2.00000
     12       3.1213      2.00000
     13       3.1892      2.00000
     14       3.2096      2.00000
     15       3.3879      2.00000
     16       3.4300      2.00000
     17       3.6081      2.00000
     18       3.7302      2.00000
     19       3.7837      2.00001
     20       4.3709      1.72250
     21       6.0572     -0.00000
     22       6.1700     -0.00000
     23       6.3991     -0.00000
     24       6.8059     -0.00000
     25       6.8940     -0.00000
     26       7.1204     -0.00000
     27       7.2574     -0.00000
     28       7.2696     -0.00000
     29       7.4046     -0.00000
     30       7.6122     -0.00000
     31       7.6258     -0.00000
     32       7.8489     -0.00000
     33       8.3031     -0.00000
     34       8.4357     -0.00000
     35       8.6461     -0.00000
     36       9.0644     -0.00000
     37       9.1878     -0.00000
     38       9.4166     -0.00000
     39       9.5399     -0.00000
     40       9.6797     -0.00000
     41       9.8884     -0.00000
     42       9.8943     -0.00000
     43      10.2713      0.00000
     44      10.6362      0.00000

 k-point    39 :       0.2857    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.2766      2.00000
      2       1.7119      2.00000
      3       1.8648      2.00000
      4       1.9164      2.00000
      5       2.1228      2.00000
      6       2.2882      2.00000
      7       2.3635      2.00000
      8       2.5628      2.00000
      9       2.5666      2.00000
     10       2.8293      2.00000
     11       2.9710      2.00000
     12       3.0637      2.00000
     13       3.2608      2.00000
     14       3.4288      2.00000
     15       3.5076      2.00000
     16       3.6838      2.00000
     17       3.7092      2.00000
     18       3.8202      2.00005
     19       3.9335      2.00104
     20       4.3497      1.83091
     21       5.7286     -0.00000
     22       5.9048     -0.00000
     23       6.1047     -0.00000
     24       6.2939     -0.00000
     25       6.8096     -0.00000
     26       6.8144     -0.00000
     27       6.8910     -0.00000
     28       7.2255     -0.00000
     29       7.4866     -0.00000
     30       7.7050     -0.00000
     31       7.7427     -0.00000
     32       7.8944     -0.00000
     33       8.2107     -0.00000
     34       8.4226     -0.00000
     35       9.0572     -0.00000
     36       9.1650     -0.00000
     37       9.3490     -0.00000
     38       9.4273     -0.00000
     39       9.6088     -0.00000
     40       9.9570      0.00000
     41      10.2094      0.00000
     42      10.2668      0.00000
     43      10.4379      0.00000
     44      10.7661      0.00000

 k-point    40 :       0.4286    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.3753      2.00000
      2       1.5189      2.00000
      3       1.9613      2.00000
      4       2.0190      2.00000
      5       2.1019      2.00000
      6       2.1682      2.00000
      7       2.2323      2.00000
      8       2.3774      2.00000
      9       2.6580      2.00000
     10       2.7934      2.00000
     11       2.9440      2.00000
     12       3.0779      2.00000
     13       3.4957      2.00000
     14       3.6596      2.00000
     15       3.6940      2.00000
     16       3.7328      2.00000
     17       3.8302      2.00006
     18       3.8932      2.00037
     19       4.0190      2.00674
     20       4.2474      2.06542
     21       5.5611     -0.00000
     22       5.7703     -0.00000
     23       5.7909     -0.00000
     24       5.9126     -0.00000
     25       6.6184     -0.00000
     26       6.6503     -0.00000
     27       6.8498     -0.00000
     28       7.1141     -0.00000
     29       7.5358     -0.00000
     30       7.6491     -0.00000
     31       7.8460     -0.00000
     32       7.9899     -0.00000
     33       8.0213     -0.00000
     34       8.3366     -0.00000
     35       9.2774     -0.00000
     36       9.4144     -0.00000
     37       9.4306     -0.00000
     38       9.5680     -0.00000
     39       9.7373     -0.00000
     40      10.1704      0.00000
     41      10.1853      0.00000
     42      10.3727      0.00000
     43      10.8239      0.00000
     44      11.1213      0.00000

 k-point    41 :       0.0000    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.2370      2.00000
      2       1.5853      2.00000
      3       1.8760      2.00000
      4       2.2511      2.00000
      5       2.2949      2.00000
      6       2.3247      2.00000
      7       2.3384      2.00000
      8       2.5906      2.00000
      9       2.6857      2.00000
     10       2.8963      2.00000
     11       2.9429      2.00000
     12       3.0782      2.00000
     13       3.2485      2.00000
     14       3.2706      2.00000
     15       3.2744      2.00000
     16       3.3265      2.00000
     17       3.4628      2.00000
     18       3.6763      2.00000
     19       3.6900      2.00000
     20       4.1615      2.05251
     21       6.1322     -0.00000
     22       6.3700     -0.00000
     23       6.4959     -0.00000
     24       6.7985     -0.00000
     25       6.9711     -0.00000
     26       7.1044     -0.00000
     27       7.3894     -0.00000
     28       7.5235     -0.00000
     29       7.5452     -0.00000
     30       7.5987     -0.00000
     31       7.6450     -0.00000
     32       8.0955     -0.00000
     33       8.1888     -0.00000
     34       8.2107     -0.00000
     35       8.7878     -0.00000
     36       9.0487     -0.00000
     37       9.2968     -0.00000
     38       9.4154     -0.00000
     39       9.4737     -0.00000
     40       9.6090     -0.00000
     41       9.9077     -0.00000
     42      10.0474      0.00000
     43      10.0678      0.00000
     44      10.7335      0.00000

 k-point    42 :       0.1429    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.2560      2.00000
      2       1.6049      2.00000
      3       1.8958      2.00000
      4       1.9966      2.00000
      5       2.2869      2.00000
      6       2.3340      2.00000
      7       2.3679      2.00000
      8       2.6355      2.00000
      9       2.6595      2.00000
     10       2.9735      2.00000
     11       3.0016      2.00000
     12       3.0493      2.00000
     13       3.1155      2.00000
     14       3.2559      2.00000
     15       3.3948      2.00000
     16       3.5387      2.00000
     17       3.5646      2.00000
     18       3.6332      2.00000
     19       3.7366      2.00000
     20       4.1686      2.05570
     21       6.0554     -0.00000
     22       6.1007     -0.00000
     23       6.4120     -0.00000
     24       6.6124     -0.00000
     25       6.7673     -0.00000
     26       7.0481     -0.00000
     27       7.2836     -0.00000
     28       7.3713     -0.00000
     29       7.5542     -0.00000
     30       7.7113     -0.00000
     31       7.7564     -0.00000
     32       8.1731     -0.00000
     33       8.3060     -0.00000
     34       8.3914     -0.00000
     35       8.7077     -0.00000
     36       9.0826     -0.00000
     37       9.1613     -0.00000
     38       9.5436     -0.00000
     39       9.5567     -0.00000
     40       9.6450     -0.00000
     41      10.0535      0.00000
     42      10.1915      0.00000
     43      10.2216      0.00000
     44      10.7084      0.00000

 k-point    43 :       0.2857    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.3138      2.00000
      2       1.6641      2.00000
      3       1.7500      2.00000
      4       1.9553      2.00000
      5       2.1021      2.00000
      6       2.3471      2.00000
      7       2.3770      2.00000
      8       2.4421      2.00000
      9       2.7779      2.00000
     10       2.8414      2.00000
     11       3.0283      2.00000
     12       3.1976      2.00000
     13       3.3276      2.00000
     14       3.4224      2.00000
     15       3.5192      2.00000
     16       3.5511      2.00000
     17       3.6965      2.00000
     18       3.7674      2.00001
     19       3.8606      2.00015
     20       4.1755      2.05868
     21       5.6715     -0.00000
     22       5.8553     -0.00000
     23       6.0837     -0.00000
     24       6.0886     -0.00000
     25       6.7847     -0.00000
     26       6.8654     -0.00000
     27       7.0054     -0.00000
     28       7.4689     -0.00000
     29       7.5232     -0.00000
     30       7.7167     -0.00000
     31       7.8301     -0.00000
     32       8.1132     -0.00000
     33       8.2598     -0.00000
     34       8.5997     -0.00000
     35       8.9389     -0.00000
     36       9.1806     -0.00000
     37       9.2998     -0.00000
     38       9.6178     -0.00000
     39       9.6528     -0.00000
     40       9.7946     -0.00000
     41      10.2040      0.00000
     42      10.3633      0.00000
     43      10.5272      0.00000
     44      10.7964      0.00000

 k-point    44 :       0.4286    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.4128      2.00000
      2       1.5568      2.00000
      3       1.7647      2.00000
      4       1.9094      2.00000
      5       2.0576      2.00000
      6       2.2014      2.00000
      7       2.4475      2.00000
      8       2.5271      2.00000
      9       2.5943      2.00000
     10       2.6671      2.00000
     11       3.2036      2.00000
     12       3.3098      2.00000
     13       3.4995      2.00000
     14       3.5890      2.00000
     15       3.6136      2.00000
     16       3.6630      2.00000
     17       3.7087      2.00000
     18       3.8676      2.00019
     19       3.9848      2.00336
     20       4.1348      2.04021
     21       5.4714     -0.00000
     22       5.6668     -0.00000
     23       5.7197     -0.00000
     24       5.7263     -0.00000
     25       6.7468     -0.00000
     26       6.8190     -0.00000
     27       6.8401     -0.00000
     28       7.4931     -0.00000
     29       7.5670     -0.00000
     30       7.6583     -0.00000
     31       7.9077     -0.00000
     32       8.0476     -0.00000
     33       8.0507     -0.00000
     34       8.6275     -0.00000
     35       9.2491     -0.00000
     36       9.3637     -0.00000
     37       9.5053     -0.00000
     38       9.6244     -0.00000
     39       9.6622     -0.00000
     40       9.9605      0.00000
     41      10.2645      0.00000
     42      10.3893      0.00000
     43      10.6569      0.00000
     44      10.8153      0.00000

 k-point    45 :       0.0000    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.3119      2.00000
      2       1.4270      2.00000
      3       1.9616      2.00000
      4       2.0913      2.00000
      5       2.3484      2.00000
      6       2.4030      2.00000
      7       2.4531      2.00000
      8       2.5142      2.00000
      9       2.6894      2.00000
     10       2.9812      2.00000
     11       3.0129      2.00000
     12       3.0399      2.00000
     13       3.1019      2.00000
     14       3.2029      2.00000
     15       3.4442      2.00000
     16       3.4745      2.00000
     17       3.5287      2.00000
     18       3.6456      2.00000
     19       3.6623      2.00000
     20       3.8320      2.00007
     21       6.2198     -0.00000
     22       6.3287     -0.00000
     23       6.5529     -0.00000
     24       6.6199     -0.00000
     25       6.7226     -0.00000
     26       6.7672     -0.00000
     27       7.4864     -0.00000
     28       7.5394     -0.00000
     29       7.7709     -0.00000
     30       7.8011     -0.00000
     31       7.8877     -0.00000
     32       7.9813     -0.00000
     33       8.5167     -0.00000
     34       8.5186     -0.00000
     35       8.7034     -0.00000
     36       9.1332     -0.00000
     37       9.1649     -0.00000
     38       9.2755     -0.00000
     39       9.5355     -0.00000
     40       9.6737     -0.00000
     41       9.7675     -0.00000
     42      10.0638      0.00000
     43      10.5502      0.00000
     44      10.7565      0.00000

 k-point    46 :       0.1429    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.3310      2.00000
      2       1.4464      2.00000
      3       1.9815      2.00000
      4       2.0722      2.00000
      5       2.1124      2.00000
      6       2.1882      2.00000
      7       2.6633      2.00000
      8       2.7230      2.00000
      9       2.7487      2.00000
     10       2.8456      2.00000
     11       2.8565      2.00000
     12       3.0827      2.00000
     13       3.2679      2.00000
     14       3.3795      2.00000
     15       3.3911      2.00000
     16       3.4890      2.00000
     17       3.6018      2.00000
     18       3.6566      2.00000
     19       3.6890      2.00000
     20       3.8468      2.00010
     21       6.1138     -0.00000
     22       6.1361     -0.00000
     23       6.2924     -0.00000
     24       6.3653     -0.00000
     25       6.7657     -0.00000
     26       6.8705     -0.00000
     27       7.3609     -0.00000
     28       7.3731     -0.00000
     29       7.7637     -0.00000
     30       7.8517     -0.00000
     31       7.9773     -0.00000
     32       8.1515     -0.00000
     33       8.4681     -0.00000
     34       8.6312     -0.00000
     35       8.7159     -0.00000
     36       9.1660     -0.00000
     37       9.2452     -0.00000
     38       9.2713     -0.00000
     39       9.5984     -0.00000
     40       9.7905     -0.00000
     41       9.8601     -0.00000
     42      10.1265      0.00000
     43      10.5460      0.00000
     44      10.7062      0.00000

 k-point    47 :       0.2857    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.3893      2.00000
      2       1.5052      2.00000
      3       1.8269      2.00000
      4       1.9435      2.00000
      5       2.0423      2.00000
      6       2.1723      2.00000
      7       2.4774      2.00000
      8       2.6093      2.00000
      9       2.7668      2.00000
     10       3.0712      2.00000
     11       3.1342      2.00000
     12       3.1761      2.00000
     13       3.2286      2.00000
     14       3.4076      2.00000
     15       3.5575      2.00000
     16       3.6142      2.00000
     17       3.6399      2.00000
     18       3.7763      2.00001
     19       3.7818      2.00001
     20       3.8898      2.00034
     21       5.7023     -0.00000
     22       5.8219     -0.00000
     23       5.9073     -0.00000
     24       5.9716     -0.00000
     25       6.8228     -0.00000
     26       6.8529     -0.00000
     27       7.1712     -0.00000
     28       7.3282     -0.00000
     29       7.7655     -0.00000
     30       7.8692     -0.00000
     31       7.9728     -0.00000
     32       8.2176     -0.00000
     33       8.4512     -0.00000
     34       8.6931     -0.00000
     35       8.8963     -0.00000
     36       9.2576     -0.00000
     37       9.3419     -0.00000
     38       9.4177     -0.00000
     39       9.7110     -0.00000
     40       9.9294      0.00000
     41      10.0321      0.00000
     42      10.3172      0.00000
     43      10.5200      0.00000
     44      10.8168      0.00000

 k-point    48 :       0.4286    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.4889      2.00000
      2       1.6055      2.00000
      3       1.6335      2.00000
      4       1.7507      2.00000
      5       2.1434      2.00000
      6       2.2738      2.00000
      7       2.2893      2.00000
      8       2.4212      2.00000
      9       2.8606      2.00000
     10       2.9899      2.00000
     11       3.1998      2.00000
     12       3.3035      2.00000
     13       3.4617      2.00000
     14       3.5487      2.00000
     15       3.5805      2.00000
     16       3.6859      2.00000
     17       3.7009      2.00000
     18       3.8645      2.00017
     19       3.8811      2.00027
     20       3.9469      2.00144
     21       5.4438     -0.00000
     22       5.5257     -0.00000
     23       5.6094     -0.00000
     24       5.6432     -0.00000
     25       6.8198     -0.00000
     26       6.8474     -0.00000
     27       7.0731     -0.00000
     28       7.3365     -0.00000
     29       7.8044     -0.00000
     30       7.8942     -0.00000
     31       7.9229     -0.00000
     32       8.0573     -0.00000
     33       8.4507     -0.00000
     34       8.9147     -0.00000
     35       8.9636     -0.00000
     36       9.1939     -0.00000
     37       9.4923     -0.00000
     38       9.5530     -0.00000
     39       9.7566     -0.00000
     40       9.9251     -0.00000
     41      10.2001      0.00000
     42      10.4812      0.00000
     43      10.5996      0.00000
     44      10.8536      0.00000

 k-point    49 :       0.0000    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.3643      2.00000
      2       1.5745      2.00000
      3       1.9778      2.00000
      4       2.2066      2.00000
      5       2.2352      2.00000
      6       2.3962      2.00000
      7       2.4424      2.00000
      8       2.5201      2.00000
      9       2.6211      2.00000
     10       2.6478      2.00000
     11       2.9653      2.00000
     12       3.0357      2.00000
     13       3.1757      2.00000
     14       3.1957      2.00000
     15       3.2243      2.00000
     16       3.2407      2.00000
     17       3.3851      2.00000
     18       3.4098      2.00000
     19       3.9218      2.00078
     20       4.1961      2.06639
     21       6.3664     -0.00000
     22       6.5758     -0.00000
     23       6.8290     -0.00000
     24       7.1109     -0.00000
     25       7.2214     -0.00000
     26       7.2283     -0.00000
     27       7.2405     -0.00000
     28       7.3788     -0.00000
     29       7.7486     -0.00000
     30       7.7896     -0.00000
     31       7.7989     -0.00000
     32       8.0550     -0.00000
     33       8.2116     -0.00000
     34       8.4356     -0.00000
     35       8.7185     -0.00000
     36       9.0689     -0.00000
     37       9.1567     -0.00000
     38       9.3554     -0.00000
     39       9.4776     -0.00000
     40       9.4778     -0.00000
     41       9.4979     -0.00000
     42       9.6431     -0.00000
     43       9.6559     -0.00000
     44       9.9288      0.00000

 k-point    50 :       0.1429    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.3835      2.00000
      2       1.5939      2.00000
      3       1.9975      2.00000
      4       2.1208      2.00000
      5       2.2378      2.00000
      6       2.2485      2.00000
      7       2.3483      2.00000
      8       2.4995      2.00000
      9       2.7183      2.00000
     10       2.7921      2.00000
     11       2.9198      2.00000
     12       2.9468      2.00000
     13       3.0326      2.00000
     14       3.1810      2.00000
     15       3.3050      2.00000
     16       3.4754      2.00000
     17       3.4767      2.00000
     18       3.6069      2.00000
     19       3.9463      2.00142
     20       4.2063      2.06906
     21       6.2191     -0.00000
     22       6.2841     -0.00000
     23       6.6247     -0.00000
     24       6.7713     -0.00000
     25       7.0786     -0.00000
     26       7.0974     -0.00000
     27       7.2799     -0.00000
     28       7.3414     -0.00000
     29       7.7231     -0.00000
     30       7.7402     -0.00000
     31       8.0486     -0.00000
     32       8.2737     -0.00000
     33       8.3139     -0.00000
     34       8.5986     -0.00000
     35       8.6998     -0.00000
     36       8.9906     -0.00000
     37       9.0310     -0.00000
     38       9.3280     -0.00000
     39       9.3803     -0.00000
     40       9.6397     -0.00000
     41       9.7006     -0.00000
     42       9.7625     -0.00000
     43       9.9420      0.00000
     44      10.1268      0.00000

 k-point    51 :       0.2857    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.4418      2.00000
      2       1.6526      2.00000
      3       1.8793      2.00000
      4       2.0498      2.00000
      5       2.0982      2.00000
      6       2.2928      2.00000
      7       2.3219      2.00000
      8       2.4911      2.00000
      9       2.5582      2.00000
     10       2.7155      2.00000
     11       2.7392      2.00000
     12       2.9598      2.00000
     13       3.2176      2.00000
     14       3.3557      2.00000
     15       3.5878      2.00000
     16       3.6966      2.00000
     17       3.7262      2.00000
     18       3.7750      2.00001
     19       4.0123      2.00591
     20       4.2203      2.07087
     21       5.8286     -0.00000
     22       5.8916     -0.00000
     23       6.1712     -0.00000
     24       6.2415     -0.00000
     25       6.9483     -0.00000
     26       7.0072     -0.00000
     27       7.0837     -0.00000
     28       7.1803     -0.00000
     29       7.7443     -0.00000
     30       7.7695     -0.00000
     31       8.1387     -0.00000
     32       8.1735     -0.00000
     33       8.4573     -0.00000
     34       8.8399     -0.00000
     35       8.9987     -0.00000
     36       9.0069     -0.00000
     37       9.1451     -0.00000
     38       9.3629     -0.00000
     39       9.3658     -0.00000
     40       9.7096     -0.00000
     41      10.0278      0.00000
     42      10.0722      0.00000
     43      10.3559      0.00000
     44      10.5593      0.00000

 k-point    52 :       0.4286    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.5415      2.00000
      2       1.6861      2.00000
      3       1.7527      2.00000
      4       1.8967      2.00000
      5       2.1606      2.00000
      6       2.3044      2.00000
      7       2.3906      2.00000
      8       2.4203      2.00000
      9       2.5313      2.00000
     10       2.5614      2.00000
     11       2.6600      2.00000
     12       2.7970      2.00000
     13       3.5817      2.00000
     14       3.6464      2.00000
     15       3.7360      2.00000
     16       3.7611      2.00001
     17       3.9046      2.00050
     18       3.9710      2.00249
     19       4.0190      2.00674
     20       4.1679      2.05539
     21       5.5976     -0.00000
     22       5.6784     -0.00000
     23       5.7708     -0.00000
     24       5.8219     -0.00000
     25       6.8521     -0.00000
     26       6.8973     -0.00000
     27       6.9620     -0.00000
     28       7.0778     -0.00000
     29       7.8036     -0.00000
     30       7.8439     -0.00000
     31       7.9610     -0.00000
     32       7.9785     -0.00000
     33       8.6175     -0.00000
     34       8.8875     -0.00000
     35       9.1775     -0.00000
     36       9.1910     -0.00000
     37       9.3336     -0.00000
     38       9.3534     -0.00000
     39       9.4539     -0.00000
     40       9.6479     -0.00000
     41      10.3324      0.00000
     42      10.5527      0.00000
     43      10.6124      0.00000
     44      10.9312      0.00000

 k-point    53 :       0.0000    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.4030      2.00000
      2       1.6153      2.00000
      3       1.7666      2.00000
      4       1.9937      2.00000
      5       2.4451      2.00000
      6       2.4830      2.00000
      7       2.5204      2.00000
      8       2.6521      2.00000
      9       2.7085      2.00000
     10       2.8080      2.00000
     11       2.8160      2.00000
     12       2.8564      2.00000
     13       3.0097      2.00000
     14       3.0530      2.00000
     15       3.3797      2.00000
     16       3.4286      2.00000
     17       3.5208      2.00000
     18       3.5484      2.00000
     19       3.6863      2.00000
     20       3.9511      2.00159
     21       6.4053     -0.00000
     22       6.5521     -0.00000
     23       6.6169     -0.00000
     24       6.8319     -0.00000
     25       7.2563     -0.00000
     26       7.2948     -0.00000
     27       7.4835     -0.00000
     28       7.5321     -0.00000
     29       7.6293     -0.00000
     30       7.6340     -0.00000
     31       7.7751     -0.00000
     32       7.9858     -0.00000
     33       8.3559     -0.00000
     34       8.6922     -0.00000
     35       8.8450     -0.00000
     36       9.0603     -0.00000
     37       9.2212     -0.00000
     38       9.2428     -0.00000
     39       9.5214     -0.00000
     40       9.7089     -0.00000
     41       9.8052     -0.00000
     42       9.8456     -0.00000
     43       9.8492     -0.00000
     44      10.1673      0.00000

 k-point    54 :       0.1429    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.4223      2.00000
      2       1.6347      2.00000
      3       1.7865      2.00000
      4       2.0129      2.00000
      5       2.1675      2.00000
      6       2.3692      2.00000
      7       2.5225      2.00000
      8       2.5787      2.00000
      9       2.7294      2.00000
     10       2.7732      2.00000
     11       2.9005      2.00000
     12       3.0118      2.00000
     13       3.1425      2.00000
     14       3.2290      2.00000
     15       3.3076      2.00000
     16       3.4039      2.00000
     17       3.5935      2.00000
     18       3.6553      2.00000
     19       3.7197      2.00000
     20       3.9664      2.00225
     21       6.2210     -0.00000
     22       6.2253     -0.00000
     23       6.5316     -0.00000
     24       6.5975     -0.00000
     25       7.0804     -0.00000
     26       7.0933     -0.00000
     27       7.4756     -0.00000
     28       7.5114     -0.00000
     29       7.7387     -0.00000
     30       7.8323     -0.00000
     31       7.9222     -0.00000
     32       8.0780     -0.00000
     33       8.4014     -0.00000
     34       8.6600     -0.00000
     35       8.8446     -0.00000
     36       9.0744     -0.00000
     37       9.1530     -0.00000
     38       9.3004     -0.00000
     39       9.6317     -0.00000
     40       9.7334     -0.00000
     41       9.7659     -0.00000
     42       9.9731      0.00000
     43      10.1565      0.00000
     44      10.3055      0.00000

 k-point    55 :       0.2857    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.4808      2.00000
      2       1.6936      2.00000
      3       1.8465      2.00000
      4       1.9189      2.00000
      5       2.0759      2.00000
      6       2.1317      2.00000
      7       2.2882      2.00000
      8       2.5118      2.00000
      9       2.6266      2.00000
     10       2.8602      2.00000
     11       3.0034      2.00000
     12       3.1717      2.00000
     13       3.2899      2.00000
     14       3.3826      2.00000
     15       3.4910      2.00000
     16       3.5765      2.00000
     17       3.7204      2.00000
     18       3.7476      2.00000
     19       3.8297      2.00006
     20       4.0058      2.00519
     21       5.7704     -0.00000
     22       5.8476     -0.00000
     23       6.0734     -0.00000
     24       6.0804     -0.00000
     25       7.0707     -0.00000
     26       7.0903     -0.00000
     27       7.2559     -0.00000
     28       7.4151     -0.00000
     29       7.7861     -0.00000
     30       7.8402     -0.00000
     31       8.1077     -0.00000
     32       8.1998     -0.00000
     33       8.3961     -0.00000
     34       8.7597     -0.00000
     35       8.9480     -0.00000
     36       9.1393     -0.00000
     37       9.2175     -0.00000
     38       9.3814     -0.00000
     39       9.6750     -0.00000
     40       9.8702     -0.00000
     41       9.9021     -0.00000
     42      10.1088      0.00000
     43      10.4968      0.00000
     44      10.7109      0.00000

 k-point    56 :       0.4286    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.5809      2.00000
      2       1.7259      2.00000
      3       1.7937      2.00000
      4       1.9318      2.00000
      5       1.9562      2.00000
      6       2.0965      2.00000
      7       2.1763      2.00000
      8       2.3231      2.00000
      9       2.7194      2.00000
     10       2.8494      2.00000
     11       2.9515      2.00000
     12       3.0708      2.00000
     13       3.5837      2.00000
     14       3.6374      2.00000
     15       3.6787      2.00000
     16       3.7020      2.00000
     17       3.7813      2.00001
     18       3.8947      2.00039
     19       3.9004      2.00045
     20       4.0209      2.00699
     21       5.5000     -0.00000
     22       5.5697     -0.00000
     23       5.6604     -0.00000
     24       5.6693     -0.00000
     25       7.0638     -0.00000
     26       7.1139     -0.00000
     27       7.1198     -0.00000
     28       7.3643     -0.00000
     29       7.7992     -0.00000
     30       7.8658     -0.00000
     31       8.0382     -0.00000
     32       8.0508     -0.00000
     33       8.4301     -0.00000
     34       8.9888     -0.00000
     35       9.0582     -0.00000
     36       9.3001     -0.00000
     37       9.3438     -0.00000
     38       9.4812     -0.00000
     39       9.5312     -0.00000
     40       9.7651     -0.00000
     41      10.1212      0.00000
     42      10.3415      0.00000
     43      10.6325      0.00000
     44      10.8758      0.00000

 k-point    57 :       0.0000    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.4815      2.00000
      2       1.6019      2.00000
      3       1.6976      2.00000
      4       1.8232      2.00000
      5       2.5191      2.00000
      6       2.5632      2.00000
      7       2.6196      2.00000
      8       2.6717      2.00000
      9       2.7310      2.00000
     10       2.7770      2.00000
     11       2.8565      2.00000
     12       2.8843      2.00000
     13       2.9623      2.00000
     14       3.1911      2.00000
     15       3.3230      2.00000
     16       3.5103      2.00000
     17       3.5630      2.00000
     18       3.6002      2.00000
     19       3.6018      2.00000
     20       3.6054      2.00000
     21       6.4530     -0.00000
     22       6.4925     -0.00000
     23       6.5446     -0.00000
     24       6.6267     -0.00000
     25       7.0894     -0.00000
     26       7.1138     -0.00000
     27       7.4482     -0.00000
     28       7.5074     -0.00000
     29       7.9159     -0.00000
     30       7.9311     -0.00000
     31       7.9639     -0.00000
     32       7.9941     -0.00000
     33       8.5091     -0.00000
     34       8.6933     -0.00000
     35       8.8160     -0.00000
     36       8.9427     -0.00000
     37       9.2529     -0.00000
     38       9.3904     -0.00000
     39       9.4228     -0.00000
     40       9.5394     -0.00000
     41      10.2061      0.00000
     42      10.3416      0.00000
     43      10.3876      0.00000
     44      10.5372      0.00000

 k-point    58 :       0.1429    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.5010      2.00000
      2       1.6215      2.00000
      3       1.7173      2.00000
      4       1.8430      2.00000
      5       2.2457      2.00000
      6       2.3634      2.00000
      7       2.4601      2.00000
      8       2.5824      2.00000
      9       2.8815      2.00000
     10       2.8946      2.00000
     11       3.0017      2.00000
     12       3.1320      2.00000
     13       3.1343      2.00000
     14       3.2371      2.00000
     15       3.3721      2.00000
     16       3.4311      2.00000
     17       3.5637      2.00000
     18       3.6098      2.00000
     19       3.6142      2.00000
     20       3.6335      2.00000
     21       6.2362     -0.00000
     22       6.2489     -0.00000
     23       6.3707     -0.00000
     24       6.3886     -0.00000
     25       7.1161     -0.00000
     26       7.1515     -0.00000
     27       7.4302     -0.00000
     28       7.4741     -0.00000
     29       7.9373     -0.00000
     30       7.9491     -0.00000
     31       8.0048     -0.00000
     32       8.0554     -0.00000
     33       8.6177     -0.00000
     34       8.6650     -0.00000
     35       8.8334     -0.00000
     36       9.0599     -0.00000
     37       9.2870     -0.00000
     38       9.3534     -0.00000
     39       9.5157     -0.00000
     40       9.6053     -0.00000
     41      10.2160      0.00000
     42      10.3319      0.00000
     43      10.4807      0.00000
     44      10.6478      0.00000

 k-point    59 :       0.2857    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.5600      2.00000
      2       1.6808      2.00000
      3       1.7771      2.00000
      4       1.9024      2.00000
      5       2.0014      2.00000
      6       2.1213      2.00000
      7       2.2193      2.00000
      8       2.3447      2.00000
      9       2.9625      2.00000
     10       3.1428      2.00000
     11       3.2441      2.00000
     12       3.2577      2.00000
     13       3.3554      2.00000
     14       3.3971      2.00000
     15       3.4832      2.00000
     16       3.4968      2.00000
     17       3.5595      2.00000
     18       3.6522      2.00000
     19       3.6623      2.00000
     20       3.7033      2.00000
     21       5.7796     -0.00000
     22       5.8445     -0.00000
     23       5.9037     -0.00000
     24       5.9480     -0.00000
     25       7.1876     -0.00000
     26       7.2007     -0.00000
     27       7.4081     -0.00000
     28       7.4837     -0.00000
     29       7.8848     -0.00000
     30       7.9201     -0.00000
     31       7.9987     -0.00000
     32       8.1643     -0.00000
     33       8.7070     -0.00000
     34       8.7346     -0.00000
     35       8.9426     -0.00000
     36       9.1665     -0.00000
     37       9.3465     -0.00000
     38       9.3624     -0.00000
     39       9.5930     -0.00000
     40       9.6540     -0.00000
     41      10.3129      0.00000
     42      10.4426      0.00000
     43      10.6111      0.00000
     44      10.8152      0.00000

 k-point    60 :       0.4286    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.6605      2.00000
      2       1.7815      2.00000
      3       1.8061      2.00000
      4       1.8767      2.00000
      5       1.9304      2.00000
      6       2.0056      2.00000
      7       2.0263      2.00000
      8       2.1527      2.00000
      9       3.0471      2.00000
     10       3.1546      2.00000
     11       3.2464      2.00000
     12       3.3000      2.00000
     13       3.4566      2.00000
     14       3.4945      2.00000
     15       3.5427      2.00000
     16       3.6173      2.00000
     17       3.7127      2.00000
     18       3.7924      2.00002
     19       3.8197      2.00005
     20       3.8291      2.00006
     21       5.4570     -0.00000
     22       5.5067     -0.00000
     23       5.5252     -0.00000
     24       5.5618     -0.00000
     25       7.2150     -0.00000
     26       7.2446     -0.00000
     27       7.4014     -0.00000
     28       7.5360     -0.00000
     29       7.8629     -0.00000
     30       7.9212     -0.00000
     31       7.9534     -0.00000
     32       8.1011     -0.00000
     33       8.6510     -0.00000
     34       8.9212     -0.00000
     35       9.0916     -0.00000
     36       9.1404     -0.00000
     37       9.3948     -0.00000
     38       9.4403     -0.00000
     39       9.5341     -0.00000
     40       9.6013     -0.00000
     41      10.4133      0.00000
     42      10.5815      0.00000
     43      10.7149      0.00000
     44      10.9074      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
  1.204   5.375  -0.004   0.012   0.004
  5.375  22.973  -0.015   0.044   0.015
 -0.004  -0.015  -0.240  -0.001   0.002
  0.012   0.044  -0.001  -0.249  -0.000
  0.004   0.015   0.002  -0.000  -0.241
 total augmentation occupancy for first ion, spin component:           1
  2.390  -0.037   0.039  -0.111  -0.040
 -0.037   0.001  -0.002   0.003   0.002
  0.039  -0.002   0.221  -0.007   0.011
 -0.111   0.003  -0.007   0.139   0.002
 -0.040   0.002   0.011   0.002   0.209


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


    CHARGE:  cpu time    0.1649: real time    0.1649
    FORLOC:  cpu time    0.0097: real time    0.0097
    FORNL :  cpu time   13.4937: real time   13.4960
    STRESS:  cpu time    4.7333: real time    4.7338
    FORCOR:  cpu time    0.0303: real time    0.0313
    FORHAR:  cpu time    0.0218: real time    0.0218
    MIXING:  cpu time    0.0045: real time    0.0045
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    14.67106    14.67106    14.67106
  Ewald    -143.51572  -148.63497  -130.75129     0.00000     0.00000    -0.00000
  Hartree     1.18525     0.68979     1.05780    -0.00000    -0.00000     0.00000
  E(xc)    -108.53675  -108.99097  -107.79893     0.00000     0.00000    -0.00000
  Local       7.68751     2.19147    11.58632     0.00000     0.00000    -0.00000
  n-local   130.61761   131.24036   128.18791     0.01959     0.07473    -0.21146
  augment     7.39946     7.55313     7.08004    -0.00000    -0.00000     0.00000
  Kinetic   215.38851   226.09069   200.77282     0.07371    -1.14307    -0.90435
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     124.89694   124.81057   124.80574     0.00000     0.00000     0.00000
  in kB     700.41079   699.92642   699.89935     0.00000     0.00000     0.00000
  external pressure =        0.08 kB  Pullay stress =      700.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      650.00
  volume of cell :      285.70
      direct lattice vectors                 reciprocal lattice vectors
     6.895686318  0.000000000  0.000000000     0.145018197  0.000000000  0.000000000
     0.000000000  8.163138929  0.000000000     0.000000000  0.122501896  0.000000000
     0.000000000  0.000000000  5.075453655     0.000000000  0.000000000  0.197026723

  length of vectors
     6.895686318  8.163138929  5.075453655     0.145018197  0.122501896  0.197026723


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.421E-01 0.102E+00 -.255E+00   -.434E+00 0.358E+00 -.116E+01   0.485E+00 -.461E+00 0.141E+01   0.433E-06 -.535E-06 -.103E-05
   0.421E-01 -.102E+00 -.255E+00   0.434E+00 -.358E+00 -.116E+01   -.485E+00 0.461E+00 0.141E+01   -.433E-06 0.535E-06 -.103E-05
   -.421E-01 -.102E+00 -.255E+00   -.434E+00 -.358E+00 -.116E+01   0.485E+00 0.461E+00 0.141E+01   0.433E-06 0.535E-06 -.103E-05
   0.421E-01 0.102E+00 -.255E+00   0.434E+00 0.358E+00 -.116E+01   -.485E+00 -.461E+00 0.141E+01   -.433E-06 -.535E-06 -.103E-05
   -.421E-01 0.102E+00 -.255E+00   -.434E+00 0.358E+00 -.116E+01   0.485E+00 -.461E+00 0.141E+01   0.433E-06 -.535E-06 -.103E-05
   0.421E-01 -.102E+00 -.255E+00   0.434E+00 -.358E+00 -.116E+01   -.485E+00 0.461E+00 0.141E+01   -.433E-06 0.535E-06 -.103E-05
   -.421E-01 -.102E+00 -.255E+00   -.434E+00 -.358E+00 -.116E+01   0.485E+00 0.461E+00 0.141E+01   0.433E-06 0.535E-06 -.103E-05
   0.421E-01 0.102E+00 -.255E+00   0.434E+00 0.358E+00 -.116E+01   -.485E+00 -.461E+00 0.141E+01   -.433E-06 -.535E-06 -.103E-05
   -.121E-01 -.330E-01 0.129E+00   -.564E-01 -.232E+00 0.717E+00   0.600E-01 0.260E+00 -.848E+00   -.930E-06 0.122E-06 0.465E-06
   0.121E-01 0.330E-01 0.129E+00   0.564E-01 0.232E+00 0.717E+00   -.600E-01 -.260E+00 -.848E+00   0.930E-06 -.122E-06 0.465E-06
   -.121E-01 0.330E-01 0.129E+00   -.564E-01 0.232E+00 0.717E+00   0.600E-01 -.260E+00 -.848E+00   -.930E-06 -.122E-06 0.465E-06
   0.121E-01 -.330E-01 0.129E+00   0.564E-01 -.232E+00 0.717E+00   -.600E-01 0.260E+00 -.848E+00   0.930E-06 0.122E-06 0.465E-06
   -.121E-01 -.330E-01 0.129E+00   -.564E-01 -.232E+00 0.717E+00   0.600E-01 0.260E+00 -.848E+00   -.930E-06 0.122E-06 0.465E-06
   0.121E-01 0.330E-01 0.129E+00   0.564E-01 0.232E+00 0.717E+00   -.600E-01 -.260E+00 -.848E+00   0.930E-06 -.122E-06 0.465E-06
   -.121E-01 0.330E-01 0.129E+00   -.564E-01 0.232E+00 0.717E+00   0.600E-01 -.260E+00 -.848E+00   -.930E-06 -.122E-06 0.465E-06
   0.121E-01 -.330E-01 0.129E+00   0.564E-01 -.232E+00 0.717E+00   -.600E-01 0.260E+00 -.848E+00   0.930E-06 0.122E-06 0.465E-06
   -.286E+00 -.151E+00 0.216E-01   -.642E+00 -.234E-01 0.769E-01   0.933E+00 0.179E+00 -.967E-01   0.384E-06 -.942E-06 0.857E-06
   0.286E+00 0.151E+00 0.216E-01   0.642E+00 0.234E-01 0.769E-01   -.933E+00 -.179E+00 -.967E-01   -.384E-06 0.942E-06 0.857E-06
   -.286E+00 0.151E+00 0.216E-01   -.642E+00 0.234E-01 0.769E-01   0.933E+00 -.179E+00 -.967E-01   0.384E-06 0.942E-06 0.857E-06
   0.286E+00 -.151E+00 0.216E-01   0.642E+00 -.234E-01 0.769E-01   -.933E+00 0.179E+00 -.967E-01   -.384E-06 -.942E-06 0.857E-06
   -.286E+00 -.151E+00 0.216E-01   -.642E+00 -.234E-01 0.769E-01   0.933E+00 0.179E+00 -.967E-01   0.384E-06 -.942E-06 0.857E-06
   0.286E+00 0.151E+00 0.216E-01   0.642E+00 0.234E-01 0.769E-01   -.933E+00 -.179E+00 -.967E-01   -.384E-06 0.942E-06 0.857E-06
   -.286E+00 0.151E+00 0.216E-01   -.642E+00 0.234E-01 0.769E-01   0.933E+00 -.179E+00 -.967E-01   0.384E-06 0.942E-06 0.857E-06
   0.286E+00 -.151E+00 0.216E-01   0.642E+00 -.234E-01 0.769E-01   -.933E+00 0.179E+00 -.967E-01   -.384E-06 -.942E-06 0.857E-06
   -.481E-01 -.573E-01 0.137E-01   -.195E+00 0.462E-01 0.364E-01   0.239E+00 -.407E-02 -.505E-01   -.488E-07 -.899E-06 -.957E-08
   0.481E-01 0.573E-01 0.137E-01   0.195E+00 -.462E-01 0.364E-01   -.239E+00 0.407E-02 -.505E-01   0.488E-07 0.899E-06 -.957E-08
   -.481E-01 0.573E-01 0.137E-01   -.195E+00 -.462E-01 0.364E-01   0.239E+00 0.407E-02 -.505E-01   -.488E-07 0.899E-06 -.957E-08
   0.481E-01 -.573E-01 0.137E-01   0.195E+00 0.462E-01 0.364E-01   -.239E+00 -.407E-02 -.505E-01   0.487E-07 -.899E-06 -.957E-08
   -.481E-01 -.573E-01 0.137E-01   -.195E+00 0.462E-01 0.364E-01   0.239E+00 -.407E-02 -.505E-01   -.488E-07 -.899E-06 -.961E-08
   0.481E-01 0.573E-01 0.137E-01   0.195E+00 -.462E-01 0.364E-01   -.239E+00 0.407E-02 -.505E-01   0.489E-07 0.899E-06 -.961E-08
   -.481E-01 0.573E-01 0.137E-01   -.195E+00 -.462E-01 0.364E-01   0.239E+00 0.407E-02 -.505E-01   -.488E-07 0.899E-06 -.961E-08
   0.481E-01 -.573E-01 0.137E-01   0.195E+00 0.462E-01 0.364E-01   -.239E+00 -.407E-02 -.505E-01   0.487E-07 -.899E-06 -.961E-08
   0.403E-01 0.151E+00 0.100E+00   0.215E+00 -.135E+00 0.329E+00   -.243E+00 -.170E-02 -.428E+00   0.613E-06 0.960E-06 -.265E-06
   -.403E-01 -.151E+00 0.100E+00   -.215E+00 0.135E+00 0.329E+00   0.243E+00 0.170E-02 -.428E+00   -.613E-06 -.960E-06 -.265E-06
   0.403E-01 -.151E+00 0.100E+00   0.215E+00 0.135E+00 0.329E+00   -.243E+00 0.170E-02 -.428E+00   0.613E-06 -.960E-06 -.265E-06
   -.403E-01 0.151E+00 0.100E+00   -.215E+00 -.135E+00 0.329E+00   0.243E+00 -.170E-02 -.428E+00   -.613E-06 0.960E-06 -.265E-06
   0.403E-01 0.151E+00 0.100E+00   0.215E+00 -.135E+00 0.329E+00   -.243E+00 -.170E-02 -.428E+00   0.613E-06 0.960E-06 -.265E-06
   -.403E-01 -.151E+00 0.100E+00   -.215E+00 0.135E+00 0.329E+00   0.243E+00 0.170E-02 -.428E+00   -.613E-06 -.960E-06 -.265E-06
   0.403E-01 -.151E+00 0.100E+00   0.215E+00 0.135E+00 0.329E+00   -.243E+00 0.170E-02 -.428E+00   0.613E-06 -.960E-06 -.265E-06
   -.403E-01 0.151E+00 0.100E+00   -.215E+00 -.135E+00 0.329E+00   0.243E+00 -.170E-02 -.428E+00   -.613E-06 0.960E-06 -.265E-06
 -----------------------------------------------------------------------------------------------
   -.287E-04 0.240E-04 0.729E-01   -.139E-15 0.416E-14 0.111E-14   -.833E-16 0.187E-15 -.737E-01   0.811E-13 -.568E-12 0.123E-06
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.64068      0.95020     -0.00267         0.008641     -0.000956      0.000165
      6.25500      7.21294     -0.00267        -0.008641      0.000956      0.000165
      4.08853      3.13137     -0.00267         0.008641      0.000956      0.000165
      2.80716      5.03177     -0.00267        -0.008641     -0.000956      0.000165
      0.64068      5.03177      2.53505         0.008641     -0.000956      0.000165
      6.25500      3.13137      2.53505        -0.008641      0.000956      0.000165
      4.08853      7.21294      2.53505         0.008641      0.000956      0.000165
      2.80716      0.95020      2.53505        -0.008641     -0.000956      0.000165
      5.95448      7.37137      1.59237        -0.008512     -0.005726     -0.002518
      0.94121      0.79177      1.59237         0.008512      0.005726     -0.002518
      2.50663      4.87334      1.59237        -0.008512      0.005726     -0.002518
      4.38905      3.28980      1.59237         0.008512     -0.005726     -0.002518
      5.95448      3.28980      4.13009        -0.008512     -0.005726     -0.002518
      0.94121      4.87334      4.13009         0.008512      0.005726     -0.002518
      2.50663      0.79177      4.13009        -0.008512      0.005726     -0.002518
      4.38905      7.37137      4.13009         0.008512     -0.005726     -0.002518
      6.67041      0.95561      3.01315         0.005279      0.004878      0.001777
      0.22528      7.20753      3.01315        -0.005279     -0.004878      0.001777
      3.22257      3.12596      3.01315         0.005279     -0.004878      0.001777
      3.67312      5.03718      3.01315        -0.005279      0.004878      0.001777
      6.67041      5.03718      0.47542         0.005279      0.004878      0.001777
      0.22528      3.12596      0.47542        -0.005279     -0.004878      0.001777
      3.22257      7.20753      0.47542         0.005279     -0.004878      0.001777
      3.67312      0.95561      0.47542        -0.005279      0.004878      0.001777
      2.41908      2.18862      0.89684        -0.003445     -0.015130     -0.000403
      4.47660      5.97452      0.89684         0.003445      0.015130     -0.000403
      5.86693      1.89295      0.89684        -0.003445      0.015130     -0.000403
      1.02876      6.27019      0.89684         0.003445     -0.015130     -0.000403
      2.41908      6.27019      3.43457        -0.003445     -0.015130     -0.000403
      4.47660      1.89295      3.43457         0.003445      0.015130     -0.000403
      5.86693      5.97452      3.43457        -0.003445      0.015130     -0.000403
      1.02876      2.18862      3.43457         0.003445     -0.015130     -0.000403
      2.00424      7.44263      1.91444         0.012408      0.014672      0.000980
      4.89145      0.72051      1.91444        -0.012408     -0.014672      0.000980
      5.45208      4.80208      1.91444         0.012408     -0.014672      0.000980
      1.44361      3.36106      1.91444        -0.012408      0.014672      0.000980
      2.00424      3.36106      4.45217         0.012408      0.014672      0.000980
      4.89145      4.80208      4.45217        -0.012408     -0.014672      0.000980
      5.45208      0.72051      4.45217         0.012408     -0.014672      0.000980
      1.44361      7.44263      4.45217        -0.012408      0.014672      0.000980
 -----------------------------------------------------------------------------------
    total drift:                               -0.000029      0.000024     -0.000850


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -16.91112674 eV

  energy  without entropy=      -16.92115776  energy(sigma->0) =      -16.91447041
  enthalpy is  TOTEN    =       107.91256110 eV   P V=      124.82368784

 d Force = 0.1553389E-03[-0.575E-04, 0.368E-03]  d Energy = 0.2601303E-03-0.105E-03
 d Force = 0.1535926E-01[ 0.151E-01, 0.156E-01]  d Ewald  = 0.1059751E-01 0.476E-02


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


    POTLOK:  cpu time    0.0294: real time    0.0314


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




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


    WAVPRE:  cpu time    0.0067: real time    0.0067
 FEWALD executed in parallel
    FEWALD:  cpu time    0.0017: real time    0.0027
    GENKIN:  cpu time    0.0254: real time    0.0254
    ORTHCH:  cpu time    0.5378: real time    0.5379
     LOOP+:  cpu time   47.2192: real time   47.2303


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


    POTLOK:  cpu time    0.0216: real time    0.0216
    SETDIJ:  cpu time    0.0059: real time    0.0059
     EDDAV:  cpu time    4.9347: real time    4.9352
       DOS:  cpu time    0.0072: real time    0.0072
    CHARGE:  cpu time    0.1648: real time    0.1648
    MIXING:  cpu time    0.0029: real time    0.0029
    --------------------------------------------
      LOOP:  cpu time    5.1393: real time    5.2498

 eigenvalue-minimisations  :  5728
 total energy-change (2. order) :-0.1314324E-01  (-0.5485479E-03)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9507348 magnetization 

  free energy =  -0.169242699810E+02  energy without entropy=  -0.169341936922E+02


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




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


    POTLOK:  cpu time    0.0210: real time    0.0210
    SETDIJ:  cpu time    0.0059: real time    0.0059
     EDDAV:  cpu time    5.6062: real time    5.6069
       DOS:  cpu time    0.0073: real time    0.0073
    CHARGE:  cpu time    0.1681: real time    0.1681
    MIXING:  cpu time    0.0044: real time    0.0044
    --------------------------------------------
      LOOP:  cpu time    5.8141: real time    5.8147

 eigenvalue-minimisations  :  6784
 total energy-change (2. order) : 0.8021227E-06  (-0.9779296E-05)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9507641 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8376
  1.8376

  free energy =  -0.169242691788E+02  energy without entropy=  -0.169341898293E+02


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




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


    POTLOK:  cpu time    0.0210: real time    0.0211
    SETDIJ:  cpu time    0.0057: real time    0.0057
     EDDAV:  cpu time    5.4112: real time    5.4118
       DOS:  cpu time    0.0073: real time    0.0073
    CHARGE:  cpu time    0.1653: real time    0.1653
    MIXING:  cpu time    0.0046: real time    0.0046
    --------------------------------------------
      LOOP:  cpu time    5.6161: real time    5.6168

 eigenvalue-minimisations  :  6432
 total energy-change (2. order) : 0.1384242E-05  (-0.4864102E-06)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9507687 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8648
  1.3340  2.3957

  free energy =  -0.169242677946E+02  energy without entropy=  -0.169341863801E+02


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




----------------------------------------- Iteration    9(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0216: real time    0.0216
    SETDIJ:  cpu time    0.0061: real time    0.0061
     EDDAV:  cpu time    3.7125: real time    3.7129
       DOS:  cpu time    0.0073: real time    0.0073
    CHARGE:  cpu time    0.1727: real time    0.1727
    MIXING:  cpu time    0.0040: real time    0.0040
    --------------------------------------------
      LOOP:  cpu time    3.9254: real time    3.9276

 eigenvalue-minimisations  :  3396
 total energy-change (2. order) :-0.7619576E-07  (-0.5611906E-07)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9507687 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7921
  1.0016  1.6441  2.7305

  free energy =  -0.169242678708E+02  energy without entropy=  -0.169341863302E+02


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




----------------------------------------- Iteration    9(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0216: real time    0.0216
    SETDIJ:  cpu time    0.0058: real time    0.0058
     EDDAV:  cpu time    3.5017: real time    3.5021
       DOS:  cpu time    0.0069: real time    0.0069
    CHARGE:  cpu time    0.2066: real time    0.2066
    MIXING:  cpu time    0.0034: real time    0.0034
    --------------------------------------------
      LOOP:  cpu time    3.7468: real time    3.7472

 eigenvalue-minimisations  :  3044
 total energy-change (2. order) :-0.5242896E-08  (-0.7713441E-08)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9507692 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7927
  2.8336  0.9760  1.4543  1.9068

  free energy =  -0.169242678760E+02  energy without entropy=  -0.169341863772E+02


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




----------------------------------------- Iteration    9(   6)  ---------------------------------------


    POTLOK:  cpu time    0.0197: real time    0.0197
    SETDIJ:  cpu time    0.0047: real time    0.0047
     EDDAV:  cpu time    3.3904: real time    3.3908
       DOS:  cpu time    0.0070: real time    0.0070
    --------------------------------------------
      LOOP:  cpu time    3.4226: real time    3.4230

 eigenvalue-minimisations  :  2884
 total energy-change (2. order) :-0.7405220E-08  (-0.8220468E-09)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9507692 magnetization 

  free energy =  -0.169242678835E+02  energy without entropy=  -0.169341863471E+02


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




 average (electrostatic) potential at core
  the test charge radii are     0.9748
  (the norm of the test charge is              1.0000)
       1 -25.9679       2 -25.9679       3 -25.9679       4 -25.9679       5 -25.9679
       6 -25.9679       7 -25.9679       8 -25.9679       9 -25.8912      10 -25.8912
      11 -25.8912      12 -25.8912      13 -25.8912      14 -25.8912      15 -25.8912
      16 -25.8912      17 -25.9191      18 -25.9191      19 -25.9191      20 -25.9191
      21 -25.9191      22 -25.9191      23 -25.9191      24 -25.9191      25 -25.8349
      26 -25.8349      27 -25.8349      28 -25.8349      29 -25.8349      30 -25.8349
      31 -25.8349      32 -25.8349      33 -26.0251      34 -26.0251      35 -26.0251
      36 -26.0251      37 -26.0251      38 -26.0251      39 -26.0251      40 -26.0251
 
 
 
 E-fermi :   4.4692     XC(G=0):  -9.5544     alpha+bet :-20.5606


 k-point     1 :       0.0000    0.0833    0.0500
  band No.  band energies     occupation 
      1       0.9606      2.00000
      2       1.5062      2.00000
      3       1.7433      2.00000
      4       1.9948      2.00000
      5       2.0328      2.00000
      6       2.5117      2.00000
      7       2.6168      2.00000
      8       2.7665      2.00000
      9       2.8661      2.00000
     10       2.9220      2.00000
     11       3.2211      2.00000
     12       3.2713      2.00000
     13       3.3985      2.00000
     14       3.4290      2.00000
     15       3.5232      2.00000
     16       3.6262      2.00000
     17       3.8447      2.00009
     18       4.1853      2.06207
     19       4.2137      2.07011
     20       4.3913      1.60744
     21       5.5199     -0.00000
     22       5.7161     -0.00000
     23       5.9219     -0.00000
     24       6.1021     -0.00000
     25       6.2195     -0.00000
     26       6.2804     -0.00000
     27       6.5432     -0.00000
     28       7.1228     -0.00000
     29       7.1310     -0.00000
     30       7.2531     -0.00000
     31       7.3739     -0.00000
     32       7.4058     -0.00000
     33       8.0615     -0.00000
     34       8.1313     -0.00000
     35       8.8177     -0.00000
     36       8.9498     -0.00000
     37       9.2359     -0.00000
     38       9.4159     -0.00000
     39       9.7971     -0.00000
     40       9.8332     -0.00000
     41      10.0879      0.00000
     42      10.2984      0.00000
     43      10.5519      0.00000
     44      10.8051      0.00000

 k-point     2 :       0.1429    0.0833    0.0500
  band No.  band energies     occupation 
      1       0.9789      2.00000
      2       1.5263      2.00000
      3       1.7071      2.00000
      4       1.7640      2.00000
      5       2.2721      2.00000
      6       2.3842      2.00000
      7       2.5243      2.00000
      8       2.8644      2.00000
      9       2.9617      2.00000
     10       3.1431      2.00000
     11       3.2487      2.00000
     12       3.2849      2.00000
     13       3.3724      2.00000
     14       3.4348      2.00000
     15       3.5527      2.00000
     16       3.6297      2.00000
     17       3.7792      2.00001
     18       4.0625      2.01432
     19       4.2332      2.07027
     20       4.4356      1.28047
     21       5.4152     -0.00000
     22       5.5695     -0.00000
     23       5.8874     -0.00000
     24       5.9978     -0.00000
     25       6.1369     -0.00000
     26       6.5330     -0.00000
     27       6.6146     -0.00000
     28       6.8168     -0.00000
     29       7.1051     -0.00000
     30       7.2419     -0.00000
     31       7.2956     -0.00000
     32       7.3912     -0.00000
     33       8.3161     -0.00000
     34       8.3693     -0.00000
     35       8.8306     -0.00000
     36       8.8783     -0.00000
     37       9.2564     -0.00000
     38       9.4165     -0.00000
     39       9.7363     -0.00000
     40       9.9146     -0.00000
     41      10.0604      0.00000
     42      10.1570      0.00000
     43      10.8438      0.00000
     44      10.9309      0.00000

 k-point     3 :       0.2857    0.0833    0.0500
  band No.  band energies     occupation 
      1       1.0348      2.00000
      2       1.4618      2.00000
      3       1.5870      2.00000
      4       1.8265      2.00000
      5       2.0320      2.00000
      6       2.2813      2.00000
      7       2.8156      2.00000
      8       2.9647      2.00000
      9       3.2346      2.00000
     10       3.2660      2.00000
     11       3.3206      2.00000
     12       3.3347      2.00000
     13       3.4289      2.00000
     14       3.5252      2.00000
     15       3.5783      2.00000
     16       3.6261      2.00000
     17       3.7301      2.00000
     18       3.8496      2.00011
     19       4.1546      2.04861
     20       4.3419      1.87173
     21       5.3211     -0.00000
     22       5.4238     -0.00000
     23       5.7789     -0.00000
     24       5.8356     -0.00000
     25       5.8863     -0.00000
     26       6.2252     -0.00000
     27       6.7623     -0.00000
     28       7.0274     -0.00000
     29       7.1107     -0.00000
     30       7.2206     -0.00000
     31       7.2642     -0.00000
     32       7.5419     -0.00000
     33       8.4638     -0.00000
     34       8.4914     -0.00000
     35       8.7475     -0.00000
     36       8.8986     -0.00000
     37       9.2052     -0.00000
     38       9.3252     -0.00000
     39       9.7939     -0.00000
     40       9.8725     -0.00000
     41      10.1442      0.00000
     42      10.3435      0.00000
     43      11.0122      0.00000
     44      11.1449      0.00000

 k-point     4 :       0.4286    0.0833    0.0500
  band No.  band energies     occupation 
      1       1.1310      2.00000
      2       1.2716      2.00000
      3       1.6898      2.00000
      4       1.8361      2.00000
      5       1.9346      2.00000
      6       2.0843      2.00000
      7       3.0506      2.00000
      8       3.1551      2.00000
      9       3.2919      2.00000
     10       3.3894      2.00000
     11       3.4319      2.00000
     12       3.4505      2.00000
     13       3.5036      2.00000
     14       3.5160      2.00000
     15       3.6418      2.00000
     16       3.6482      2.00000
     17       3.7103      2.00000
     18       3.7663      2.00001
     19       3.9160      2.00065
     20       4.1147      2.03100
     21       5.3545     -0.00000
     22       5.4771     -0.00000
     23       5.6284     -0.00000
     24       5.6529     -0.00000
     25       5.7618     -0.00000
     26       5.7667     -0.00000
     27       6.9615     -0.00000
     28       7.1209     -0.00000
     29       7.1516     -0.00000
     30       7.1617     -0.00000
     31       7.6152     -0.00000
     32       7.8542     -0.00000
     33       8.1296     -0.00000
     34       8.2061     -0.00000
     35       8.8777     -0.00000
     36       8.9432     -0.00000
     37       9.0992     -0.00000
     38       9.1795     -0.00000
     39       9.8021     -0.00000
     40       9.8751     -0.00000
     41      10.4360      0.00000
     42      10.5315      0.00000
     43      11.2342      0.00000
     44      11.3480      0.00000

 k-point     5 :       0.0000    0.2500    0.0500
  band No.  band energies     occupation 
      1       0.9942      2.00000
      2       1.3155      2.00000
      3       2.0239      2.00000
      4       2.0265      2.00000
      5       2.0698      2.00000
      6       2.3342      2.00000
      7       2.4260      2.00000
      8       2.9387      2.00000
      9       3.0172      2.00000
     10       3.0510      2.00000
     11       3.1372      2.00000
     12       3.2023      2.00000
     13       3.4038      2.00000
     14       3.4947      2.00000
     15       3.5134      2.00000
     16       3.6965      2.00000
     17       3.7556      2.00001
     18       4.0138      2.00591
     19       4.0376      2.00927
     20       4.2338      2.07018
     21       5.6659     -0.00000
     22       5.7963     -0.00000
     23       5.9728     -0.00000
     24       6.2029     -0.00000
     25       6.3199     -0.00000
     26       6.4227     -0.00000
     27       6.5118     -0.00000
     28       6.7789     -0.00000
     29       7.2826     -0.00000
     30       7.3169     -0.00000
     31       7.3769     -0.00000
     32       7.6360     -0.00000
     33       8.0138     -0.00000
     34       8.1555     -0.00000
     35       8.8925     -0.00000
     36       9.0385     -0.00000
     37       9.0720     -0.00000
     38       9.2281     -0.00000
     39       9.5172     -0.00000
     40       9.8529     -0.00000
     41       9.9051     -0.00000
     42      10.3796      0.00000
     43      10.4884      0.00000
     44      10.9130      0.00000

 k-point     6 :       0.1429    0.2500    0.0500
  band No.  band energies     occupation 
      1       1.0126      2.00000
      2       1.3349      2.00000
      3       1.7422      2.00000
      4       2.0365      2.00000
      5       2.0889      2.00000
      6       2.4158      2.00000
      7       2.7243      2.00000
      8       2.8115      2.00000
      9       2.9722      2.00000
     10       3.0449      2.00000
     11       3.2188      2.00000
     12       3.3488      2.00000
     13       3.3982      2.00000
     14       3.5037      2.00000
     15       3.5353      2.00000
     16       3.7000      2.00000
     17       3.7067      2.00000
     18       3.8317      2.00006
     19       4.1152      2.03120
     20       4.2767      2.04164
     21       5.5488     -0.00000
     22       5.7252     -0.00000
     23       5.9371     -0.00000
     24       6.0526     -0.00000
     25       6.2381     -0.00000
     26       6.4814     -0.00000
     27       6.6326     -0.00000
     28       6.7166     -0.00000
     29       7.1583     -0.00000
     30       7.3085     -0.00000
     31       7.3291     -0.00000
     32       7.6114     -0.00000
     33       8.2519     -0.00000
     34       8.3346     -0.00000
     35       8.8896     -0.00000
     36       8.9981     -0.00000
     37       9.0204     -0.00000
     38       9.2294     -0.00000
     39       9.6082     -0.00000
     40       9.8098     -0.00000
     41       9.9186     -0.00000
     42      10.4399      0.00000
     43      10.5069      0.00000
     44      11.0278      0.00000

 k-point     7 :       0.2857    0.2500    0.0500
  band No.  band energies     occupation 
      1       1.0689      2.00000
      2       1.3940      2.00000
      3       1.4970      2.00000
      4       1.8322      2.00000
      5       2.1152      2.00000
      6       2.5746      2.00000
      7       2.8375      2.00000
      8       2.9906      2.00000
      9       3.1293      2.00000
     10       3.1321      2.00000
     11       3.2664      2.00000
     12       3.3049      2.00000
     13       3.4749      2.00000
     14       3.5352      2.00000
     15       3.6150      2.00000
     16       3.6207      2.00000
     17       3.6790      2.00000
     18       3.7277      2.00000
     19       4.0525      2.01208
     20       4.2304      2.07061
     21       5.3914     -0.00000
     22       5.6580     -0.00000
     23       5.7578     -0.00000
     24       5.8272     -0.00000
     25       6.1140     -0.00000
     26       6.1880     -0.00000
     27       6.6091     -0.00000
     28       7.0677     -0.00000
     29       7.1117     -0.00000
     30       7.3582     -0.00000
     31       7.4864     -0.00000
     32       7.5512     -0.00000
     33       8.3413     -0.00000
     34       8.5021     -0.00000
     35       8.7858     -0.00000
     36       8.8801     -0.00000
     37       9.0409     -0.00000
     38       9.1592     -0.00000
     39       9.6301     -0.00000
     40       9.7948     -0.00000
     41      10.1279      0.00000
     42      10.5578      0.00000
     43      10.7080      0.00000
     44      11.2229      0.00000

 k-point     8 :       0.4286    0.2500    0.0500
  band No.  band energies     occupation 
      1       1.1655      2.00000
      2       1.3065      2.00000
      3       1.4946      2.00000
      4       1.6397      2.00000
      5       2.2240      2.00000
      6       2.3775      2.00000
      7       3.0869      2.00000
      8       3.1954      2.00000
      9       3.2151      2.00000
     10       3.3117      2.00000
     11       3.3718      2.00000
     12       3.4118      2.00000
     13       3.4328      2.00000
     14       3.4433      2.00000
     15       3.5524      2.00000
     16       3.6265      2.00000
     17       3.7471      2.00000
     18       3.7671      2.00001
     19       3.8480      2.00010
     20       4.0091      2.00539
     21       5.4145     -0.00000
     22       5.5999     -0.00000
     23       5.6075     -0.00000
     24       5.7784     -0.00000
     25       5.7926     -0.00000
     26       5.9735     -0.00000
     27       6.7800     -0.00000
     28       6.9527     -0.00000
     29       7.3329     -0.00000
     30       7.4410     -0.00000
     31       7.7203     -0.00000
     32       7.7952     -0.00000
     33       8.1392     -0.00000
     34       8.1797     -0.00000
     35       8.8322     -0.00000
     36       8.8851     -0.00000
     37       8.9636     -0.00000
     38       9.0526     -0.00000
     39       9.6122     -0.00000
     40       9.7762     -0.00000
     41      10.4084      0.00000
     42      10.5832      0.00000
     43      11.1480      0.00000
     44      11.3621      0.00000

 k-point     9 :       0.0000    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.0627      2.00000
      2       1.1687      2.00000
      3       2.0918      2.00000
      4       2.1436      2.00000
      5       2.1934      2.00000
      6       2.2405      2.00000
      7       2.3775      2.00000
      8       2.7026      2.00000
      9       3.0144      2.00000
     10       3.1064      2.00000
     11       3.3405      2.00000
     12       3.4365      2.00000
     13       3.4374      2.00000
     14       3.4800      2.00000
     15       3.5988      2.00000
     16       3.6015      2.00000
     17       3.7428      2.00000
     18       3.7834      2.00001
     19       3.8327      2.00006
     20       4.0224      2.00699
     21       5.9160     -0.00000
     22       5.9292     -0.00000
     23       6.0751     -0.00000
     24       6.1456     -0.00000
     25       6.1977     -0.00000
     26       6.4227     -0.00000
     27       6.6369     -0.00000
     28       6.9200     -0.00000
     29       6.9880     -0.00000
     30       7.2427     -0.00000
     31       7.5950     -0.00000
     32       7.8519     -0.00000
     33       8.1781     -0.00000
     34       8.3698     -0.00000
     35       8.5117     -0.00000
     36       9.0174     -0.00000
     37       9.0846     -0.00000
     38       9.1545     -0.00000
     39       9.3040     -0.00000
     40       9.5882     -0.00000
     41       9.9278     -0.00000
     42      10.0407      0.00000
     43      10.7416      0.00000
     44      10.9160      0.00000

 k-point    10 :       0.1429    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.0814      2.00000
      2       1.1877      2.00000
      3       1.8136      2.00000
      4       1.9235      2.00000
      5       2.3676      2.00000
      6       2.4762      2.00000
      7       2.5979      2.00000
      8       2.7328      2.00000
      9       3.0336      2.00000
     10       3.1248      2.00000
     11       3.1427      2.00000
     12       3.4392      2.00000
     13       3.4867      2.00000
     14       3.4938      2.00000
     15       3.5008      2.00000
     16       3.6159      2.00000
     17       3.6894      2.00000
     18       3.8409      2.00008
     19       3.9171      2.00067
     20       4.0490      2.01137
     21       5.7435     -0.00000
     22       5.9146     -0.00000
     23       5.9481     -0.00000
     24       6.1165     -0.00000
     25       6.2329     -0.00000
     26       6.3632     -0.00000
     27       6.5669     -0.00000
     28       6.9099     -0.00000
     29       6.9939     -0.00000
     30       7.2036     -0.00000
     31       7.6245     -0.00000
     32       7.9834     -0.00000
     33       8.1781     -0.00000
     34       8.4817     -0.00000
     35       8.5594     -0.00000
     36       8.9920     -0.00000
     37       9.0219     -0.00000
     38       9.2563     -0.00000
     39       9.2675     -0.00000
     40       9.5522     -0.00000
     41       9.9887      0.00000
     42      10.1089      0.00000
     43      10.7580      0.00000
     44      10.9650      0.00000

 k-point    11 :       0.2857    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.1382      2.00000
      2       1.2455      2.00000
      3       1.5688      2.00000
      4       1.6796      2.00000
      5       2.4404      2.00000
      6       2.7707      2.00000
      7       2.9104      2.00000
      8       2.9271      2.00000
      9       2.9782      2.00000
     10       3.1068      2.00000
     11       3.1790      2.00000
     12       3.2730      2.00000
     13       3.3754      2.00000
     14       3.4609      2.00000
     15       3.5322      2.00000
     16       3.6043      2.00000
     17       3.7438      2.00000
     18       3.8962      2.00039
     19       3.8969      2.00040
     20       4.0732      2.01703
     21       5.5188     -0.00000
     22       5.6446     -0.00000
     23       5.8821     -0.00000
     24       6.0495     -0.00000
     25       6.0671     -0.00000
     26       6.3475     -0.00000
     27       6.4309     -0.00000
     28       6.7719     -0.00000
     29       7.2564     -0.00000
     30       7.3847     -0.00000
     31       7.7225     -0.00000
     32       8.0573     -0.00000
     33       8.0930     -0.00000
     34       8.4825     -0.00000
     35       8.5847     -0.00000
     36       8.8653     -0.00000
     37       8.9596     -0.00000
     38       9.2816     -0.00000
     39       9.2923     -0.00000
     40       9.5594     -0.00000
     41      10.2095      0.00000
     42      10.3946      0.00000
     43      10.7569      0.00000
     44      11.0151      0.00000

 k-point    12 :       0.4286    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.2357      2.00000
      2       1.3443      2.00000
      3       1.3777      2.00000
      4       1.4877      2.00000
      5       2.5553      2.00000
      6       2.7131      2.00000
      7       2.9066      2.00000
      8       3.0714      2.00000
      9       3.1536      2.00000
     10       3.2384      2.00000
     11       3.2686      2.00000
     12       3.3582      2.00000
     13       3.3787      2.00000
     14       3.4113      2.00000
     15       3.6076      2.00000
     16       3.6803      2.00000
     17       3.6820      2.00000
     18       3.7703      2.00001
     19       3.8217      2.00005
     20       3.8935      2.00036
     21       5.5009     -0.00000
     22       5.5599     -0.00000
     23       5.6840     -0.00000
     24       5.7552     -0.00000
     25       6.1304     -0.00000
     26       6.2818     -0.00000
     27       6.4789     -0.00000
     28       6.6341     -0.00000
     29       7.5608     -0.00000
     30       7.6965     -0.00000
     31       7.8000     -0.00000
     32       8.0107     -0.00000
     33       8.0201     -0.00000
     34       8.3182     -0.00000
     35       8.4305     -0.00000
     36       8.6251     -0.00000
     37       9.0302     -0.00000
     38       9.2600     -0.00000
     39       9.3220     -0.00000
     40       9.5403     -0.00000
     41      10.5004      0.00000
     42      10.6850      0.00000
     43      10.7577      0.00000
     44      10.9587      0.00000

 k-point    13 :       0.0000    0.0833    0.1500
  band No.  band energies     occupation 
      1       0.9998      2.00000
      2       1.5534      2.00000
      3       1.7935      2.00000
      4       2.0356      2.00000
      5       2.0756      2.00000
      6       2.4861      2.00000
      7       2.5776      2.00000
      8       2.6604      2.00000
      9       2.8065      2.00000
     10       2.9029      2.00000
     11       3.0751      2.00000
     12       3.2918      2.00000
     13       3.3071      2.00000
     14       3.3428      2.00000
     15       3.4494      2.00000
     16       3.7630      2.00001
     17       3.8623      2.00015
     18       4.0046      2.00492
     19       4.0459      2.01076
     20       4.1729      2.05691
     21       5.7488     -0.00000
     22       5.9426     -0.00000
     23       6.1843     -0.00000
     24       6.4602     -0.00000
     25       6.5001     -0.00000
     26       6.5629     -0.00000
     27       6.5988     -0.00000
     28       6.7506     -0.00000
     29       7.1558     -0.00000
     30       7.2664     -0.00000
     31       7.3681     -0.00000
     32       7.3796     -0.00000
     33       8.1404     -0.00000
     34       8.4590     -0.00000
     35       8.9330     -0.00000
     36       9.0449     -0.00000
     37       9.0494     -0.00000
     38       9.5751     -0.00000
     39       9.7957     -0.00000
     40       9.8066     -0.00000
     41       9.9963      0.00000
     42      10.0100      0.00000
     43      10.4051      0.00000
     44      10.4529      0.00000

 k-point    14 :       0.1429    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.0182      2.00000
      2       1.5734      2.00000
      3       1.7488      2.00000
      4       1.8141      2.00000
      5       2.3152      2.00000
      6       2.4251      2.00000
      7       2.5192      2.00000
      8       2.5686      2.00000
      9       2.9455      2.00000
     10       3.0913      2.00000
     11       3.1411      2.00000
     12       3.1919      2.00000
     13       3.3107      2.00000
     14       3.3769      2.00000
     15       3.5879      2.00000
     16       3.6577      2.00000
     17       3.8749      2.00022
     18       3.9620      2.00197
     19       4.0858      2.02069
     20       4.1560      2.04927
     21       5.6919     -0.00000
     22       5.7957     -0.00000
     23       6.1197     -0.00000
     24       6.3374     -0.00000
     25       6.3862     -0.00000
     26       6.4760     -0.00000
     27       6.7143     -0.00000
     28       6.7649     -0.00000
     29       7.1558     -0.00000
     30       7.2270     -0.00000
     31       7.2694     -0.00000
     32       7.4432     -0.00000
     33       8.2989     -0.00000
     34       8.5309     -0.00000
     35       8.9151     -0.00000
     36       9.0177     -0.00000
     37       9.0640     -0.00000
     38       9.5885     -0.00000
     39       9.8035     -0.00000
     40       9.8833     -0.00000
     41       9.8957     -0.00000
     42      10.0940      0.00000
     43      10.6391      0.00000
     44      10.7136      0.00000

 k-point    15 :       0.2857    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.0744      2.00000
      2       1.5030      2.00000
      3       1.6340      2.00000
      4       1.8760      2.00000
      5       2.0768      2.00000
      6       2.3247      2.00000
      7       2.5803      2.00000
      8       2.8523      2.00000
      9       2.9703      2.00000
     10       3.1397      2.00000
     11       3.2824      2.00000
     12       3.3617      2.00000
     13       3.4523      2.00000
     14       3.4732      2.00000
     15       3.5344      2.00000
     16       3.7435      2.00000
     17       3.8114      2.00003
     18       3.9056      2.00050
     19       4.0071      2.00518
     20       4.1144      2.03086
     21       5.4512     -0.00000
     22       5.7643     -0.00000
     23       5.9797     -0.00000
     24       5.9928     -0.00000
     25       6.1190     -0.00000
     26       6.2924     -0.00000
     27       6.7034     -0.00000
     28       7.0355     -0.00000
     29       7.0453     -0.00000
     30       7.1653     -0.00000
     31       7.3107     -0.00000
     32       7.6846     -0.00000
     33       8.3452     -0.00000
     34       8.4225     -0.00000
     35       8.9416     -0.00000
     36       9.0463     -0.00000
     37       9.0847     -0.00000
     38       9.4826     -0.00000
     39       9.8815     -0.00000
     40      10.0842      0.00000
     41      10.1050      0.00000
     42      10.3028      0.00000
     43      10.9758      0.00000
     44      11.1162      0.00000

 k-point    16 :       0.4286    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.1711      2.00000
      2       1.3122      2.00000
      3       1.7364      2.00000
      4       1.8824      2.00000
      5       1.9822      2.00000
      6       2.1304      2.00000
      7       2.6757      2.00000
      8       2.8074      2.00000
      9       3.2083      2.00000
     10       3.3059      2.00000
     11       3.3401      2.00000
     12       3.5059      2.00000
     13       3.5529      2.00000
     14       3.6332      2.00000
     15       3.6352      2.00000
     16       3.6496      2.00000
     17       3.7925      2.00002
     18       3.8632      2.00016
     19       3.8720      2.00020
     20       3.9229      2.00077
     21       5.4355     -0.00000
     22       5.6579     -0.00000
     23       5.7235     -0.00000
     24       5.7856     -0.00000
     25       5.9832     -0.00000
     26       6.1830     -0.00000
     27       6.7357     -0.00000
     28       6.8691     -0.00000
     29       7.1486     -0.00000
     30       7.1980     -0.00000
     31       7.6116     -0.00000
     32       7.9453     -0.00000
     33       8.0281     -0.00000
     34       8.1846     -0.00000
     35       9.0741     -0.00000
     36       9.1345     -0.00000
     37       9.1799     -0.00000
     38       9.3402     -0.00000
     39       9.9032     -0.00000
     40      10.0800      0.00000
     41      10.3532      0.00000
     42      10.4529      0.00000
     43      11.2258      0.00000
     44      11.3305      0.00000

 k-point    17 :       0.0000    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.0339      2.00000
      2       1.3601      2.00000
      3       2.0678      2.00000
      4       2.0776      2.00000
      5       2.1130      2.00000
      6       2.3739      2.00000
      7       2.4699      2.00000
      8       2.5524      2.00000
      9       2.9072      2.00000
     10       3.0622      2.00000
     11       3.0836      2.00000
     12       3.1636      2.00000
     13       3.3557      2.00000
     14       3.5080      2.00000
     15       3.5142      2.00000
     16       3.6700      2.00000
     17       3.8507      2.00011
     18       3.8788      2.00024
     19       3.9375      2.00111
     20       4.0449      2.01059
     21       5.8324     -0.00000
     22       6.0152     -0.00000
     23       6.0443     -0.00000
     24       6.3291     -0.00000
     25       6.4805     -0.00000
     26       6.5994     -0.00000
     27       6.6752     -0.00000
     28       6.7927     -0.00000
     29       7.3479     -0.00000
     30       7.3892     -0.00000
     31       7.4732     -0.00000
     32       7.6356     -0.00000
     33       8.1691     -0.00000
     34       8.3019     -0.00000
     35       8.7374     -0.00000
     36       8.9279     -0.00000
     37       9.2075     -0.00000
     38       9.4270     -0.00000
     39       9.6078     -0.00000
     40       9.7078     -0.00000
     41       9.8129     -0.00000
     42      10.3252      0.00000
     43      10.3665      0.00000
     44      10.9192      0.00000

 k-point    18 :       0.1429    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.0525      2.00000
      2       1.3796      2.00000
      3       1.7843      2.00000
      4       2.0886      2.00000
      5       2.1338      2.00000
      6       2.4573      2.00000
      7       2.5627      2.00000
      8       2.7781      2.00000
      9       2.8462      2.00000
     10       2.9262      2.00000
     11       3.1105      2.00000
     12       3.2032      2.00000
     13       3.3996      2.00000
     14       3.4994      2.00000
     15       3.5911      2.00000
     16       3.6462      2.00000
     17       3.7965      2.00002
     18       3.8668      2.00017
     19       3.9759      2.00269
     20       4.0991      2.02513
     21       5.7269     -0.00000
     22       5.9543     -0.00000
     23       5.9692     -0.00000
     24       6.2216     -0.00000
     25       6.3008     -0.00000
     26       6.5866     -0.00000
     27       6.6459     -0.00000
     28       6.9079     -0.00000
     29       7.2308     -0.00000
     30       7.3781     -0.00000
     31       7.4987     -0.00000
     32       7.6250     -0.00000
     33       8.3461     -0.00000
     34       8.3536     -0.00000
     35       8.8283     -0.00000
     36       8.9030     -0.00000
     37       9.1878     -0.00000
     38       9.3948     -0.00000
     39       9.6093     -0.00000
     40       9.7291     -0.00000
     41       9.8890     -0.00000
     42      10.3960      0.00000
     43      10.5313      0.00000
     44      10.9496      0.00000

 k-point    19 :       0.2857    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.1090      2.00000
      2       1.4387      2.00000
      3       1.5387      2.00000
      4       1.8769      2.00000
      5       2.1666      2.00000
      6       2.6092      2.00000
      7       2.6286      2.00000
      8       2.8753      2.00000
      9       2.9832      2.00000
     10       3.0186      2.00000
     11       3.1531      2.00000
     12       3.1901      2.00000
     13       3.3646      2.00000
     14       3.6061      2.00000
     15       3.6173      2.00000
     16       3.6474      2.00000
     17       3.7928      2.00002
     18       3.9077      2.00053
     19       3.9470      2.00139
     20       4.1081      2.02841
     21       5.4733     -0.00000
     22       5.8332     -0.00000
     23       5.9039     -0.00000
     24       5.9605     -0.00000
     25       6.0224     -0.00000
     26       6.5234     -0.00000
     27       6.5296     -0.00000
     28       7.0113     -0.00000
     29       7.1673     -0.00000
     30       7.4107     -0.00000
     31       7.6243     -0.00000
     32       7.6742     -0.00000
     33       8.3204     -0.00000
     34       8.4376     -0.00000
     35       8.8548     -0.00000
     36       8.8998     -0.00000
     37       9.2588     -0.00000
     38       9.2872     -0.00000
     39       9.6408     -0.00000
     40       9.9843      0.00000
     41      10.0758      0.00000
     42      10.5156      0.00000
     43      10.7632      0.00000
     44      11.1239      0.00000

 k-point    20 :       0.4286    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.2060      2.00000
      2       1.3476      2.00000
      3       1.5393      2.00000
      4       1.6844      2.00000
      5       2.2731      2.00000
      6       2.4228      2.00000
      7       2.7196      2.00000
      8       2.8550      2.00000
      9       3.0702      2.00000
     10       3.1927      2.00000
     11       3.2795      2.00000
     12       3.3875      2.00000
     13       3.4546      2.00000
     14       3.4993      2.00000
     15       3.6809      2.00000
     16       3.7088      2.00000
     17       3.7879      2.00002
     18       3.8827      2.00027
     19       3.9266      2.00085
     20       3.9301      2.00092
     21       5.4061     -0.00000
     22       5.6786     -0.00000
     23       5.6814     -0.00000
     24       5.7612     -0.00000
     25       6.0477     -0.00000
     26       6.3745     -0.00000
     27       6.5930     -0.00000
     28       6.7757     -0.00000
     29       7.3025     -0.00000
     30       7.4610     -0.00000
     31       7.8077     -0.00000
     32       7.8946     -0.00000
     33       8.1575     -0.00000
     34       8.1724     -0.00000
     35       8.9533     -0.00000
     36       9.0170     -0.00000
     37       9.1643     -0.00000
     38       9.3256     -0.00000
     39       9.6170     -0.00000
     40      10.0514      0.00000
     41      10.3160      0.00000
     42      10.5020      0.00000
     43      11.1155      0.00000
     44      11.2424      0.00000

 k-point    21 :       0.0000    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.1036      2.00000
      2       1.2113      2.00000
      3       2.1337      2.00000
      4       2.1877      2.00000
      5       2.2356      2.00000
      6       2.2882      2.00000
      7       2.4310      2.00000
      8       2.6320      2.00000
      9       2.7528      2.00000
     10       2.7636      2.00000
     11       3.3230      2.00000
     12       3.4369      2.00000
     13       3.4667      2.00000
     14       3.4997      2.00000
     15       3.6383      2.00000
     16       3.6443      2.00000
     17       3.6827      2.00000
     18       3.7723      2.00001
     19       3.8123      2.00003
     20       3.8382      2.00008
     21       5.9365     -0.00000
     22       6.0732     -0.00000
     23       6.0834     -0.00000
     24       6.1927     -0.00000
     25       6.3460     -0.00000
     26       6.3466     -0.00000
     27       6.9612     -0.00000
     28       7.1341     -0.00000
     29       7.2210     -0.00000
     30       7.3991     -0.00000
     31       7.7195     -0.00000
     32       8.0388     -0.00000
     33       8.0960     -0.00000
     34       8.3643     -0.00000
     35       8.4342     -0.00000
     36       9.0113     -0.00000
     37       9.1284     -0.00000
     38       9.1945     -0.00000
     39       9.3982     -0.00000
     40       9.5534     -0.00000
     41       9.9144     -0.00000
     42      10.0528      0.00000
     43      10.7233      0.00000
     44      10.9161      0.00000

 k-point    22 :       0.1429    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.1224      2.00000
      2       1.2303      2.00000
      3       1.8565      2.00000
      4       1.9672      2.00000
      5       2.4237      2.00000
      6       2.5189      2.00000
      7       2.6214      2.00000
      8       2.6722      2.00000
      9       2.7677      2.00000
     10       2.7979      2.00000
     11       3.1519      2.00000
     12       3.3041      2.00000
     13       3.3883      2.00000
     14       3.5133      2.00000
     15       3.6156      2.00000
     16       3.7008      2.00000
     17       3.7507      2.00000
     18       3.8242      2.00005
     19       3.8508      2.00011
     20       3.9622      2.00198
     21       5.8721     -0.00000
     22       5.9555     -0.00000
     23       6.0168     -0.00000
     24       6.1310     -0.00000
     25       6.1361     -0.00000
     26       6.3455     -0.00000
     27       6.9262     -0.00000
     28       7.1511     -0.00000
     29       7.1934     -0.00000
     30       7.4163     -0.00000
     31       7.7010     -0.00000
     32       8.0450     -0.00000
     33       8.1396     -0.00000
     34       8.5079     -0.00000
     35       8.5649     -0.00000
     36       8.9803     -0.00000
     37       9.0919     -0.00000
     38       9.1954     -0.00000
     39       9.4039     -0.00000
     40       9.5906     -0.00000
     41       9.9904      0.00000
     42      10.1645      0.00000
     43      10.7285      0.00000
     44      10.9423      0.00000

 k-point    23 :       0.2857    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.1795      2.00000
      2       1.2883      2.00000
      3       1.6113      2.00000
      4       1.7232      2.00000
      5       2.4939      2.00000
      6       2.7068      2.00000
      7       2.8171      2.00000
      8       2.8340      2.00000
      9       2.9397      2.00000
     10       2.9784      2.00000
     11       3.0424      2.00000
     12       3.1155      2.00000
     13       3.2123      2.00000
     14       3.3182      2.00000
     15       3.7450      2.00000
     16       3.7494      2.00000
     17       3.8358      2.00007
     18       3.8789      2.00024
     19       3.9435      2.00128
     20       4.0372      2.00921
     21       5.6078     -0.00000
     22       5.7800     -0.00000
     23       5.7964     -0.00000
     24       5.8719     -0.00000
     25       6.1322     -0.00000
     26       6.3185     -0.00000
     27       6.7556     -0.00000
     28       6.9272     -0.00000
     29       7.3825     -0.00000
     30       7.5737     -0.00000
     31       7.7668     -0.00000
     32       8.0947     -0.00000
     33       8.0986     -0.00000
     34       8.5244     -0.00000
     35       8.6784     -0.00000
     36       8.9514     -0.00000
     37       9.0214     -0.00000
     38       9.2225     -0.00000
     39       9.5070     -0.00000
     40       9.7679     -0.00000
     41      10.1731      0.00000
     42      10.4104      0.00000
     43      10.7119      0.00000
     44      10.9920      0.00000

 k-point    24 :       0.4286    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.2773      2.00000
      2       1.3874      2.00000
      3       1.4197      2.00000
      4       1.5310      2.00000
      5       2.6035      2.00000
      6       2.7509      2.00000
      7       2.8081      2.00000
      8       2.9139      2.00000
      9       2.9498      2.00000
     10       2.9614      2.00000
     11       3.0549      2.00000
     12       3.1378      2.00000
     13       3.3978      2.00000
     14       3.4432      2.00000
     15       3.7252      2.00000
     16       3.7511      2.00000
     17       3.8367      2.00007
     18       3.8831      2.00027
     19       3.9427      2.00125
     20       3.9558      2.00171
     21       5.4817     -0.00000
     22       5.6031     -0.00000
     23       5.6506     -0.00000
     24       5.6867     -0.00000
     25       6.2450     -0.00000
     26       6.4213     -0.00000
     27       6.5247     -0.00000
     28       6.6483     -0.00000
     29       7.5413     -0.00000
     30       7.7579     -0.00000
     31       7.7915     -0.00000
     32       8.0404     -0.00000
     33       8.1935     -0.00000
     34       8.4654     -0.00000
     35       8.6191     -0.00000
     36       8.8481     -0.00000
     37       9.0594     -0.00000
     38       9.2705     -0.00000
     39       9.5435     -0.00000
     40       9.8250     -0.00000
     41      10.4243      0.00000
     42      10.6196      0.00000
     43      10.7193      0.00000
     44      10.9397      0.00000

 k-point    25 :       0.0000    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.0789      2.00000
      2       1.6479      2.00000
      3       1.8935      2.00000
      4       2.1174      2.00000
      5       2.1426      2.00000
      6       2.1600      2.00000
      7       2.6421      2.00000
      8       2.7457      2.00000
      9       2.7894      2.00000
     10       2.8573      2.00000
     11       2.9719      2.00000
     12       3.0647      2.00000
     13       3.1411      2.00000
     14       3.1905      2.00000
     15       3.4250      2.00000
     16       3.6179      2.00000
     17       3.7432      2.00000
     18       3.8194      2.00004
     19       3.8908      2.00034
     20       4.2481      2.06583
     21       6.0872     -0.00000
     22       6.1883     -0.00000
     23       6.2457     -0.00000
     24       6.6207     -0.00000
     25       6.9018     -0.00000
     26       6.9922     -0.00000
     27       7.0138     -0.00000
     28       7.0737     -0.00000
     29       7.2645     -0.00000
     30       7.3192     -0.00000
     31       7.3398     -0.00000
     32       7.3802     -0.00000
     33       8.1438     -0.00000
     34       8.5787     -0.00000
     35       8.6038     -0.00000
     36       9.1258     -0.00000
     37       9.2505     -0.00000
     38       9.5569     -0.00000
     39       9.6489     -0.00000
     40       9.6998     -0.00000
     41       9.8346     -0.00000
     42      10.0656      0.00000
     43      10.2225      0.00000
     44      10.3464      0.00000

 k-point    26 :       0.1429    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.0976      2.00000
      2       1.6678      2.00000
      3       1.8322      2.00000
      4       1.9136      2.00000
      5       2.1628      2.00000
      6       2.4040      2.00000
      7       2.5043      2.00000
      8       2.6381      2.00000
      9       2.8093      2.00000
     10       2.8888      2.00000
     11       3.0248      2.00000
     12       3.0855      2.00000
     13       3.2215      2.00000
     14       3.4203      2.00000
     15       3.4585      2.00000
     16       3.4815      2.00000
     17       3.7207      2.00000
     18       3.9017      2.00045
     19       3.9213      2.00074
     20       4.2508      2.06448
     21       5.9522     -0.00000
     22       6.1168     -0.00000
     23       6.1279     -0.00000
     24       6.5214     -0.00000
     25       6.6566     -0.00000
     26       6.9262     -0.00000
     27       6.9594     -0.00000
     28       7.0998     -0.00000
     29       7.1750     -0.00000
     30       7.2689     -0.00000
     31       7.3599     -0.00000
     32       7.5554     -0.00000
     33       8.2867     -0.00000
     34       8.5392     -0.00000
     35       8.7377     -0.00000
     36       9.0407     -0.00000
     37       9.2382     -0.00000
     38       9.4600     -0.00000
     39       9.7381     -0.00000
     40       9.7808     -0.00000
     41       9.9726      0.00000
     42      10.2317      0.00000
     43      10.4208      0.00000
     44      10.5723      0.00000

 k-point    27 :       0.2857    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.1543      2.00000
      2       1.5858      2.00000
      3       1.7279      2.00000
      4       1.9739      2.00000
      5       2.1653      2.00000
      6       2.2253      2.00000
      7       2.4089      2.00000
      8       2.6611      2.00000
      9       2.8438      2.00000
     10       2.9423      2.00000
     11       3.1403      2.00000
     12       3.2606      2.00000
     13       3.3515      2.00000
     14       3.4995      2.00000
     15       3.5260      2.00000
     16       3.5782      2.00000
     17       3.7487      2.00000
     18       3.8697      2.00019
     19       4.0131      2.00583
     20       4.2417      2.06831
     21       5.5994     -0.00000
     22       5.9683     -0.00000
     23       5.9980     -0.00000
     24       6.2106     -0.00000
     25       6.4292     -0.00000
     26       6.6864     -0.00000
     27       6.8555     -0.00000
     28       6.8720     -0.00000
     29       7.2310     -0.00000
     30       7.2826     -0.00000
     31       7.4872     -0.00000
     32       7.7696     -0.00000
     33       8.2999     -0.00000
     34       8.3107     -0.00000
     35       9.0195     -0.00000
     36       9.0982     -0.00000
     37       9.3142     -0.00000
     38       9.4902     -0.00000
     39       9.8302     -0.00000
     40      10.0065      0.00000
     41      10.2186      0.00000
     42      10.5020      0.00000
     43      10.7186      0.00000
     44      10.9576      0.00000

 k-point    28 :       0.4286    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.2518      2.00000
      2       1.3940      2.00000
      3       1.8295      2.00000
      4       1.9746      2.00000
      5       2.0762      2.00000
      6       2.2197      2.00000
      7       2.3285      2.00000
      8       2.4733      2.00000
      9       2.9435      2.00000
     10       3.0686      2.00000
     11       3.2584      2.00000
     12       3.3601      2.00000
     13       3.4495      2.00000
     14       3.6096      2.00000
     15       3.6447      2.00000
     16       3.6684      2.00000
     17       3.7615      2.00001
     18       3.8443      2.00009
     19       3.9995      2.00443
     20       4.1714      2.05624
     21       5.5201     -0.00000
     22       5.7545     -0.00000
     23       5.8201     -0.00000
     24       5.8896     -0.00000
     25       6.4887     -0.00000
     26       6.5449     -0.00000
     27       6.6117     -0.00000
     28       6.7646     -0.00000
     29       7.2655     -0.00000
     30       7.3128     -0.00000
     31       7.7118     -0.00000
     32       7.9136     -0.00000
     33       8.0510     -0.00000
     34       8.0788     -0.00000
     35       9.2866     -0.00000
     36       9.3372     -0.00000
     37       9.4118     -0.00000
     38       9.5225     -0.00000
     39       9.8983     -0.00000
     40      10.2029      0.00000
     41      10.2735      0.00000
     42      10.3384      0.00000
     43      11.0857      0.00000
     44      11.2466      0.00000

 k-point    29 :       0.0000    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.1142      2.00000
      2       1.4498      2.00000
      3       2.1508      2.00000
      4       2.1839      2.00000
      5       2.1857      2.00000
      6       2.1982      2.00000
      7       2.4653      2.00000
      8       2.5567      2.00000
      9       2.5775      2.00000
     10       3.0511      2.00000
     11       3.1746      2.00000
     12       3.2093      2.00000
     13       3.2361      2.00000
     14       3.2889      2.00000
     15       3.3344      2.00000
     16       3.4952      2.00000
     17       3.6100      2.00000
     18       3.8062      2.00003
     19       3.8619      2.00015
     20       4.1479      2.04549
     21       6.0593     -0.00000
     22       6.1060     -0.00000
     23       6.3095     -0.00000
     24       6.3151     -0.00000
     25       6.8568     -0.00000
     26       6.8629     -0.00000
     27       7.0110     -0.00000
     28       7.3054     -0.00000
     29       7.3390     -0.00000
     30       7.5460     -0.00000
     31       7.6125     -0.00000
     32       7.6382     -0.00000
     33       8.1819     -0.00000
     34       8.3822     -0.00000
     35       8.5725     -0.00000
     36       9.0672     -0.00000
     37       9.3739     -0.00000
     38       9.4028     -0.00000
     39       9.6102     -0.00000
     40       9.6604     -0.00000
     41       9.9146     -0.00000
     42      10.1525      0.00000
     43      10.2149      0.00000
     44      10.6087      0.00000

 k-point    30 :       0.1429    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.1329      2.00000
      2       1.4693      2.00000
      3       1.8687      2.00000
      4       2.1831      2.00000
      5       2.2139      2.00000
      6       2.2257      2.00000
      7       2.5365      2.00000
      8       2.5999      2.00000
      9       2.8511      2.00000
     10       2.8641      2.00000
     11       2.9909      2.00000
     12       3.2186      2.00000
     13       3.2963      2.00000
     14       3.3829      2.00000
     15       3.3876      2.00000
     16       3.5422      2.00000
     17       3.7116      2.00000
     18       3.8174      2.00004
     19       3.8683      2.00018
     20       4.1548      2.04871
     21       5.9244     -0.00000
     22       6.0075     -0.00000
     23       6.1997     -0.00000
     24       6.3288     -0.00000
     25       6.5316     -0.00000
     26       6.7826     -0.00000
     27       7.0135     -0.00000
     28       7.2369     -0.00000
     29       7.3323     -0.00000
     30       7.5573     -0.00000
     31       7.6475     -0.00000
     32       7.6743     -0.00000
     33       8.3723     -0.00000
     34       8.4502     -0.00000
     35       8.6268     -0.00000
     36       9.0308     -0.00000
     37       9.2763     -0.00000
     38       9.3835     -0.00000
     39       9.6710     -0.00000
     40       9.7656     -0.00000
     41      10.0104      0.00000
     42      10.3027      0.00000
     43      10.4112      0.00000
     44      10.6797      0.00000

 k-point    31 :       0.2857    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.1900      2.00000
      2       1.5285      2.00000
      3       1.6224      2.00000
      4       1.9664      2.00000
      5       2.2481      2.00000
      6       2.2884      2.00000
      7       2.6492      2.00000
      8       2.6556      2.00000
      9       2.7542      2.00000
     10       2.9498      2.00000
     11       3.0730      2.00000
     12       3.2247      2.00000
     13       3.3102      2.00000
     14       3.4321      2.00000
     15       3.6125      2.00000
     16       3.6393      2.00000
     17       3.7510      2.00000
     18       3.8023      2.00003
     19       3.9806      2.00297
     20       4.1605      2.05131
     21       5.5705     -0.00000
     22       5.8698     -0.00000
     23       6.0017     -0.00000
     24       6.0702     -0.00000
     25       6.3646     -0.00000
     26       6.5866     -0.00000
     27       6.9484     -0.00000
     28       6.9828     -0.00000
     29       7.3912     -0.00000
     30       7.5298     -0.00000
     31       7.7416     -0.00000
     32       7.8034     -0.00000
     33       8.3210     -0.00000
     34       8.4644     -0.00000
     35       8.8525     -0.00000
     36       9.0993     -0.00000
     37       9.3436     -0.00000
     38       9.4902     -0.00000
     39       9.7127     -0.00000
     40       9.9270     -0.00000
     41      10.2578      0.00000
     42      10.4203      0.00000
     43      10.7246      0.00000
     44      10.9119      0.00000

 k-point    32 :       0.4286    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.2878      2.00000
      2       1.4304      2.00000
      3       1.6291      2.00000
      4       1.7742      2.00000
      5       2.3393      2.00000
      6       2.3990      2.00000
      7       2.4755      2.00000
      8       2.5616      2.00000
      9       2.7536      2.00000
     10       2.8974      2.00000
     11       3.3355      2.00000
     12       3.4235      2.00000
     13       3.5035      2.00000
     14       3.5528      2.00000
     15       3.5585      2.00000
     16       3.6493      2.00000
     17       3.7055      2.00000
     18       3.8682      2.00018
     19       3.9980      2.00430
     20       4.1194      2.03291
     21       5.4474     -0.00000
     22       5.7277     -0.00000
     23       5.7524     -0.00000
     24       5.7681     -0.00000
     25       6.4316     -0.00000
     26       6.5271     -0.00000
     27       6.6622     -0.00000
     28       6.9199     -0.00000
     29       7.4134     -0.00000
     30       7.5466     -0.00000
     31       7.8628     -0.00000
     32       7.9228     -0.00000
     33       8.1146     -0.00000
     34       8.3101     -0.00000
     35       9.1685     -0.00000
     36       9.2648     -0.00000
     37       9.4025     -0.00000
     38       9.6024     -0.00000
     39       9.6721     -0.00000
     40      10.1050      0.00000
     41      10.3731      0.00000
     42      10.3763      0.00000
     43      10.8374      0.00000
     44      11.0389      0.00000

 k-point    33 :       0.0000    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.1861      2.00000
      2       1.2969      2.00000
      3       2.2184      2.00000
      4       2.2708      2.00000
      5       2.2745      2.00000
      6       2.3252      2.00000
      7       2.3807      2.00000
      8       2.4039      2.00000
      9       2.5379      2.00000
     10       2.8817      2.00000
     11       3.1886      2.00000
     12       3.3060      2.00000
     13       3.3208      2.00000
     14       3.4413      2.00000
     15       3.4502      2.00000
     16       3.5116      2.00000
     17       3.6083      2.00000
     18       3.7236      2.00000
     19       3.7266      2.00000
     20       3.9474      2.00140
     21       6.0036     -0.00000
     22       6.0890     -0.00000
     23       6.2656     -0.00000
     24       6.4564     -0.00000
     25       6.5427     -0.00000
     26       6.6579     -0.00000
     27       7.1527     -0.00000
     28       7.2785     -0.00000
     29       7.5452     -0.00000
     30       7.6475     -0.00000
     31       7.9844     -0.00000
     32       8.0522     -0.00000
     33       8.1605     -0.00000
     34       8.3994     -0.00000
     35       8.5043     -0.00000
     36       9.0974     -0.00000
     37       9.1734     -0.00000
     38       9.2315     -0.00000
     39       9.5320     -0.00000
     40       9.6446     -0.00000
     41       9.7772     -0.00000
     42       9.9254     -0.00000
     43      10.6718      0.00000
     44      10.8894      0.00000

 k-point    34 :       0.1429    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.2050      2.00000
      2       1.3161      2.00000
      3       1.9424      2.00000
      4       2.0549      2.00000
      5       2.2933      2.00000
      6       2.4237      2.00000
      7       2.5339      2.00000
      8       2.6038      2.00000
      9       2.7265      2.00000
     10       2.9064      2.00000
     11       2.9943      2.00000
     12       3.1341      2.00000
     13       3.2425      2.00000
     14       3.5078      2.00000
     15       3.5186      2.00000
     16       3.6292      2.00000
     17       3.6899      2.00000
     18       3.7121      2.00000
     19       3.8290      2.00006
     20       3.9625      2.00199
     21       5.9494     -0.00000
     22       5.9975     -0.00000
     23       6.0828     -0.00000
     24       6.2882     -0.00000
     25       6.4426     -0.00000
     26       6.6027     -0.00000
     27       7.1264     -0.00000
     28       7.2201     -0.00000
     29       7.5448     -0.00000
     30       7.6721     -0.00000
     31       7.9435     -0.00000
     32       8.1145     -0.00000
     33       8.2290     -0.00000
     34       8.4508     -0.00000
     35       8.6736     -0.00000
     36       9.0648     -0.00000
     37       9.1296     -0.00000
     38       9.2735     -0.00000
     39       9.5618     -0.00000
     40       9.7363     -0.00000
     41       9.8775     -0.00000
     42      10.0799      0.00000
     43      10.6592      0.00000
     44      10.8623      0.00000

 k-point    35 :       0.2857    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.2625      2.00000
      2       1.3744      2.00000
      3       1.6968      2.00000
      4       1.8107      2.00000
      5       2.3524      2.00000
      6       2.4840      2.00000
      7       2.6015      2.00000
      8       2.7787      2.00000
      9       2.8890      2.00000
     10       2.9530      2.00000
     11       3.0366      2.00000
     12       3.0571      2.00000
     13       3.1171      2.00000
     14       3.3602      2.00000
     15       3.7087      2.00000
     16       3.7110      2.00000
     17       3.7805      2.00001
     18       3.8587      2.00014
     19       3.9352      2.00105
     20       3.9994      2.00442
     21       5.6486     -0.00000
     22       5.7895     -0.00000
     23       5.8751     -0.00000
     24       5.8822     -0.00000
     25       6.4400     -0.00000
     26       6.5093     -0.00000
     27       6.9986     -0.00000
     28       7.0062     -0.00000
     29       7.6041     -0.00000
     30       7.7663     -0.00000
     31       7.9323     -0.00000
     32       8.1483     -0.00000
     33       8.2209     -0.00000
     34       8.5530     -0.00000
     35       8.7914     -0.00000
     36       9.1511     -0.00000
     37       9.1616     -0.00000
     38       9.3509     -0.00000
     39       9.7309     -0.00000
     40       9.9619      0.00000
     41      10.0254      0.00000
     42      10.3421      0.00000
     43      10.6115      0.00000
     44      10.9128      0.00000

 k-point    36 :       0.4286    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.3611      2.00000
      2       1.4739      2.00000
      3       1.5044      2.00000
      4       1.6182      2.00000
      5       2.4511      2.00000
      6       2.5836      2.00000
      7       2.5887      2.00000
      8       2.7181      2.00000
      9       2.7275      2.00000
     10       2.8620      2.00000
     11       3.0647      2.00000
     12       3.2044      2.00000
     13       3.4426      2.00000
     14       3.4932      2.00000
     15       3.7215      2.00000
     16       3.7312      2.00000
     17       3.7777      2.00001
     18       3.9251      2.00082
     19       3.9487      2.00145
     20       4.0176      2.00636
     21       5.4576     -0.00000
     22       5.5802     -0.00000
     23       5.6642     -0.00000
     24       5.6818     -0.00000
     25       6.4781     -0.00000
     26       6.5166     -0.00000
     27       6.7510     -0.00000
     28       6.8668     -0.00000
     29       7.6624     -0.00000
     30       7.8567     -0.00000
     31       7.8705     -0.00000
     32       8.0695     -0.00000
     33       8.2960     -0.00000
     34       8.6712     -0.00000
     35       8.8248     -0.00000
     36       9.0702     -0.00000
     37       9.3188     -0.00000
     38       9.4383     -0.00000
     39       9.8194     -0.00000
     40      10.0781      0.00000
     41      10.2424      0.00000
     42      10.4859      0.00000
     43      10.6219      0.00000
     44      10.8414      0.00000

 k-point    37 :       0.0000    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.1995      2.00000
      2       1.7896      2.00000
      3       1.8332      2.00000
      4       2.0422      2.00000
      5       2.2377      2.00000
      6       2.2834      2.00000
      7       2.4953      2.00000
      8       2.7372      2.00000
      9       2.7693      2.00000
     10       2.8519      2.00000
     11       2.8563      2.00000
     12       2.9073      2.00000
     13       3.0745      2.00000
     14       3.1030      2.00000
     15       3.4169      2.00000
     16       3.4274      2.00000
     17       3.6020      2.00000
     18       3.6171      2.00000
     19       3.6804      2.00000
     20       4.3732      1.71833
     21       6.1185     -0.00000
     22       6.4579     -0.00000
     23       6.5028     -0.00000
     24       7.0645     -0.00000
     25       7.1567     -0.00000
     26       7.2121     -0.00000
     27       7.2390     -0.00000
     28       7.3089     -0.00000
     29       7.4241     -0.00000
     30       7.5457     -0.00000
     31       7.5785     -0.00000
     32       7.8788     -0.00000
     33       8.1293     -0.00000
     34       8.1964     -0.00000
     35       8.5819     -0.00000
     36       9.1925     -0.00000
     37       9.3536     -0.00000
     38       9.3688     -0.00000
     39       9.4795     -0.00000
     40       9.5028     -0.00000
     41       9.6617     -0.00000
     42       9.7381     -0.00000
     43      10.0193      0.00000
     44      10.6896      0.00000

 k-point    38 :       0.1429    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.2184      2.00000
      2       1.8082      2.00000
      3       1.8539      2.00000
      4       1.9574      2.00000
      5       2.0625      2.00000
      6       2.4998      2.00000
      7       2.5163      2.00000
      8       2.6000      2.00000
      9       2.6290      2.00000
     10       2.7961      2.00000
     11       2.7961      2.00000
     12       3.1197      2.00000
     13       3.1886      2.00000
     14       3.2079      2.00000
     15       3.3862      2.00000
     16       3.4295      2.00000
     17       3.6103      2.00000
     18       3.7305      2.00000
     19       3.7822      2.00001
     20       4.3730      1.71902
     21       6.0569     -0.00000
     22       6.1640     -0.00000
     23       6.3971     -0.00000
     24       6.8028     -0.00000
     25       6.8928     -0.00000
     26       7.1147     -0.00000
     27       7.2557     -0.00000
     28       7.2692     -0.00000
     29       7.4055     -0.00000
     30       7.6118     -0.00000
     31       7.6307     -0.00000
     32       7.8506     -0.00000
     33       8.3005     -0.00000
     34       8.4336     -0.00000
     35       8.6450     -0.00000
     36       9.0653     -0.00000
     37       9.1851     -0.00000
     38       9.4176     -0.00000
     39       9.5352     -0.00000
     40       9.6782     -0.00000
     41       9.8867     -0.00000
     42       9.8964     -0.00000
     43      10.2738      0.00000
     44      10.6377      0.00000

 k-point    39 :       0.2857    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.2759      2.00000
      2       1.7108      2.00000
      3       1.8647      2.00000
      4       1.9160      2.00000
      5       2.1231      2.00000
      6       2.2876      2.00000
      7       2.3627      2.00000
      8       2.5626      2.00000
      9       2.5661      2.00000
     10       2.8293      2.00000
     11       2.9707      2.00000
     12       3.0612      2.00000
     13       3.2599      2.00000
     14       3.4269      2.00000
     15       3.5055      2.00000
     16       3.6865      2.00000
     17       3.7075      2.00000
     18       3.8206      2.00005
     19       3.9308      2.00094
     20       4.3509      1.83257
     21       5.7244     -0.00000
     22       5.9042     -0.00000
     23       6.1032     -0.00000
     24       6.2910     -0.00000
     25       6.8088     -0.00000
     26       6.8105     -0.00000
     27       6.8908     -0.00000
     28       7.2248     -0.00000
     29       7.4882     -0.00000
     30       7.7066     -0.00000
     31       7.7430     -0.00000
     32       7.8969     -0.00000
     33       8.2096     -0.00000
     34       8.4208     -0.00000
     35       9.0574     -0.00000
     36       9.1640     -0.00000
     37       9.3467     -0.00000
     38       9.4280     -0.00000
     39       9.6062     -0.00000
     40       9.9549      0.00000
     41      10.2066      0.00000
     42      10.2685      0.00000
     43      10.4381      0.00000
     44      10.7695      0.00000

 k-point    40 :       0.4286    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.3745      2.00000
      2       1.5179      2.00000
      3       1.9610      2.00000
      4       2.0187      2.00000
      5       2.1014      2.00000
      6       2.1678      2.00000
      7       2.2320      2.00000
      8       2.3771      2.00000
      9       2.6577      2.00000
     10       2.7927      2.00000
     11       2.9445      2.00000
     12       3.0781      2.00000
     13       3.4918      2.00000
     14       3.6574      2.00000
     15       3.6916      2.00000
     16       3.7332      2.00000
     17       3.8315      2.00006
     18       3.8913      2.00034
     19       4.0176      2.00637
     20       4.2471      2.06625
     21       5.5588     -0.00000
     22       5.7687     -0.00000
     23       5.7897     -0.00000
     24       5.9104     -0.00000
     25       6.6165     -0.00000
     26       6.6495     -0.00000
     27       6.8490     -0.00000
     28       7.1135     -0.00000
     29       7.5374     -0.00000
     30       7.6503     -0.00000
     31       7.8464     -0.00000
     32       7.9899     -0.00000
     33       8.0231     -0.00000
     34       8.3374     -0.00000
     35       9.2765     -0.00000
     36       9.4123     -0.00000
     37       9.4304     -0.00000
     38       9.5648     -0.00000
     39       9.7383     -0.00000
     40      10.1674      0.00000
     41      10.1864      0.00000
     42      10.3693      0.00000
     43      10.8245      0.00000
     44      11.1223      0.00000

 k-point    41 :       0.0000    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.2364      2.00000
      2       1.5850      2.00000
      3       1.8757      2.00000
      4       2.2507      2.00000
      5       2.2936      2.00000
      6       2.3228      2.00000
      7       2.3394      2.00000
      8       2.5894      2.00000
      9       2.6837      2.00000
     10       2.8949      2.00000
     11       2.9422      2.00000
     12       3.0786      2.00000
     13       3.2493      2.00000
     14       3.2691      2.00000
     15       3.2734      2.00000
     16       3.3256      2.00000
     17       3.4638      2.00000
     18       3.6754      2.00000
     19       3.6895      2.00000
     20       4.1635      2.05273
     21       6.1323     -0.00000
     22       6.3677     -0.00000
     23       6.4881     -0.00000
     24       6.8003     -0.00000
     25       6.9640     -0.00000
     26       7.1025     -0.00000
     27       7.3881     -0.00000
     28       7.5213     -0.00000
     29       7.5424     -0.00000
     30       7.5995     -0.00000
     31       7.6482     -0.00000
     32       8.0945     -0.00000
     33       8.1880     -0.00000
     34       8.2135     -0.00000
     35       8.7875     -0.00000
     36       9.0439     -0.00000
     37       9.2977     -0.00000
     38       9.4141     -0.00000
     39       9.4687     -0.00000
     40       9.6099     -0.00000
     41       9.9115     -0.00000
     42      10.0468      0.00000
     43      10.0711      0.00000
     44      10.7324      0.00000

 k-point    42 :       0.1429    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.2553      2.00000
      2       1.6046      2.00000
      3       1.8954      2.00000
      4       1.9952      2.00000
      5       2.2867      2.00000
      6       2.3339      2.00000
      7       2.3678      2.00000
      8       2.6346      2.00000
      9       2.6575      2.00000
     10       2.9715      2.00000
     11       3.0009      2.00000
     12       3.0487      2.00000
     13       3.1158      2.00000
     14       3.2543      2.00000
     15       3.3973      2.00000
     16       3.5374      2.00000
     17       3.5633      2.00000
     18       3.6327      2.00000
     19       3.7358      2.00000
     20       4.1704      2.05581
     21       6.0553     -0.00000
     22       6.0954     -0.00000
     23       6.4097     -0.00000
     24       6.6070     -0.00000
     25       6.7669     -0.00000
     26       7.0455     -0.00000
     27       7.2827     -0.00000
     28       7.3704     -0.00000
     29       7.5547     -0.00000
     30       7.7134     -0.00000
     31       7.7563     -0.00000
     32       8.1749     -0.00000
     33       8.3043     -0.00000
     34       8.3887     -0.00000
     35       8.7065     -0.00000
     36       9.0800     -0.00000
     37       9.1625     -0.00000
     38       9.5441     -0.00000
     39       9.5532     -0.00000
     40       9.6449     -0.00000
     41      10.0559      0.00000
     42      10.1897      0.00000
     43      10.2247      0.00000
     44      10.7082      0.00000

 k-point    43 :       0.2857    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.3131      2.00000
      2       1.6638      2.00000
      3       1.7489      2.00000
      4       1.9550      2.00000
      5       2.1012      2.00000
      6       2.3468      2.00000
      7       2.3774      2.00000
      8       2.4418      2.00000
      9       2.7775      2.00000
     10       2.8412      2.00000
     11       3.0267      2.00000
     12       3.1969      2.00000
     13       3.3252      2.00000
     14       3.4236      2.00000
     15       3.5196      2.00000
     16       3.5490      2.00000
     17       3.6968      2.00000
     18       3.7660      2.00001
     19       3.8581      2.00014
     20       4.1765      2.05846
     21       5.6672     -0.00000
     22       5.8547     -0.00000
     23       6.0822     -0.00000
     24       6.0845     -0.00000
     25       6.7840     -0.00000
     26       6.8638     -0.00000
     27       7.0044     -0.00000
     28       7.4680     -0.00000
     29       7.5246     -0.00000
     30       7.7186     -0.00000
     31       7.8305     -0.00000
     32       8.1148     -0.00000
     33       8.2588     -0.00000
     34       8.5978     -0.00000
     35       8.9380     -0.00000
     36       9.1811     -0.00000
     37       9.2974     -0.00000
     38       9.6166     -0.00000
     39       9.6542     -0.00000
     40       9.7933     -0.00000
     41      10.2060      0.00000
     42      10.3595      0.00000
     43      10.5297      0.00000
     44      10.7960      0.00000

 k-point    44 :       0.4286    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.4120      2.00000
      2       1.5558      2.00000
      3       1.7643      2.00000
      4       1.9088      2.00000
      5       2.0571      2.00000
      6       2.2010      2.00000
      7       2.4472      2.00000
      8       2.5274      2.00000
      9       2.5938      2.00000
     10       2.6672      2.00000
     11       3.2039      2.00000
     12       3.3102      2.00000
     13       3.4976      2.00000
     14       3.5890      2.00000
     15       3.6112      2.00000
     16       3.6631      2.00000
     17       3.7064      2.00000
     18       3.8644      2.00016
     19       3.9836      2.00318
     20       4.1345      2.03941
     21       5.4689     -0.00000
     22       5.6654     -0.00000
     23       5.7170     -0.00000
     24       5.7244     -0.00000
     25       6.7455     -0.00000
     26       6.8182     -0.00000
     27       6.8394     -0.00000
     28       7.4939     -0.00000
     29       7.5670     -0.00000
     30       7.6593     -0.00000
     31       7.9082     -0.00000
     32       8.0476     -0.00000
     33       8.0525     -0.00000
     34       8.6281     -0.00000
     35       9.2482     -0.00000
     36       9.3631     -0.00000
     37       9.5049     -0.00000
     38       9.6225     -0.00000
     39       9.6619     -0.00000
     40       9.9589      0.00000
     41      10.2660      0.00000
     42      10.3857      0.00000
     43      10.6586      0.00000
     44      10.8151      0.00000

 k-point    45 :       0.0000    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.3113      2.00000
      2       1.4265      2.00000
      3       1.9613      2.00000
      4       2.0910      2.00000
      5       2.3469      2.00000
      6       2.4012      2.00000
      7       2.4517      2.00000
      8       2.5131      2.00000
      9       2.6903      2.00000
     10       2.9800      2.00000
     11       3.0150      2.00000
     12       3.0389      2.00000
     13       3.1009      2.00000
     14       3.2019      2.00000
     15       3.4444      2.00000
     16       3.4731      2.00000
     17       3.5280      2.00000
     18       3.6451      2.00000
     19       3.6619      2.00000
     20       3.8335      2.00007
     21       6.2198     -0.00000
     22       6.3272     -0.00000
     23       6.5456     -0.00000
     24       6.6206     -0.00000
     25       6.7154     -0.00000
     26       6.7660     -0.00000
     27       7.4864     -0.00000
     28       7.5385     -0.00000
     29       7.7681     -0.00000
     30       7.8002     -0.00000
     31       7.8875     -0.00000
     32       7.9801     -0.00000
     33       8.5163     -0.00000
     34       8.5214     -0.00000
     35       8.7045     -0.00000
     36       9.1322     -0.00000
     37       9.1617     -0.00000
     38       9.2748     -0.00000
     39       9.5352     -0.00000
     40       9.6747     -0.00000
     41       9.7693     -0.00000
     42      10.0668      0.00000
     43      10.5487      0.00000
     44      10.7526      0.00000

 k-point    46 :       0.1429    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.3305      2.00000
      2       1.4459      2.00000
      3       1.9812      2.00000
      4       2.0710      2.00000
      5       2.1120      2.00000
      6       2.1870      2.00000
      7       2.6648      2.00000
      8       2.7216      2.00000
      9       2.7478      2.00000
     10       2.8446      2.00000
     11       2.8543      2.00000
     12       3.0843      2.00000
     13       3.2674      2.00000
     14       3.3779      2.00000
     15       3.3910      2.00000
     16       3.4878      2.00000
     17       3.6015      2.00000
     18       3.6555      2.00000
     19       3.6885      2.00000
     20       3.8481      2.00010
     21       6.1134     -0.00000
     22       6.1318     -0.00000
     23       6.2903     -0.00000
     24       6.3599     -0.00000
     25       6.7643     -0.00000
     26       6.8683     -0.00000
     27       7.3604     -0.00000
     28       7.3729     -0.00000
     29       7.7637     -0.00000
     30       7.8517     -0.00000
     31       7.9768     -0.00000
     32       8.1496     -0.00000
     33       8.4699     -0.00000
     34       8.6321     -0.00000
     35       8.7140     -0.00000
     36       9.1647     -0.00000
     37       9.2456     -0.00000
     38       9.2692     -0.00000
     39       9.5980     -0.00000
     40       9.7913     -0.00000
     41       9.8618     -0.00000
     42      10.1293      0.00000
     43      10.5440      0.00000
     44      10.7045      0.00000

 k-point    47 :       0.2857    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.3887      2.00000
      2       1.5047      2.00000
      3       1.8258      2.00000
      4       1.9426      2.00000
      5       2.0419      2.00000
      6       2.1719      2.00000
      7       2.4770      2.00000
      8       2.6089      2.00000
      9       2.7678      2.00000
     10       3.0707      2.00000
     11       3.1342      2.00000
     12       3.1760      2.00000
     13       3.2261      2.00000
     14       3.4078      2.00000
     15       3.5575      2.00000
     16       3.6121      2.00000
     17       3.6385      2.00000
     18       3.7753      2.00001
     19       3.7801      2.00001
     20       3.8904      2.00033
     21       5.6979     -0.00000
     22       5.8194     -0.00000
     23       5.9043     -0.00000
     24       5.9701     -0.00000
     25       6.8219     -0.00000
     26       6.8515     -0.00000
     27       7.1709     -0.00000
     28       7.3281     -0.00000
     29       7.7661     -0.00000
     30       7.8697     -0.00000
     31       7.9737     -0.00000
     32       8.2175     -0.00000
     33       8.4522     -0.00000
     34       8.6927     -0.00000
     35       8.8946     -0.00000
     36       9.2566     -0.00000
     37       9.3424     -0.00000
     38       9.4169     -0.00000
     39       9.7094     -0.00000
     40       9.9295      0.00000
     41      10.0347      0.00000
     42      10.3195      0.00000
     43      10.5171      0.00000
     44      10.8162      0.00000

 k-point    48 :       0.4286    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.4881      2.00000
      2       1.6049      2.00000
      3       1.6326      2.00000
      4       1.7499      2.00000
      5       2.1431      2.00000
      6       2.2735      2.00000
      7       2.2889      2.00000
      8       2.4208      2.00000
      9       2.8614      2.00000
     10       2.9904      2.00000
     11       3.2011      2.00000
     12       3.3047      2.00000
     13       3.4601      2.00000
     14       3.5463      2.00000
     15       3.5801      2.00000
     16       3.6837      2.00000
     17       3.6990      2.00000
     18       3.8617      2.00015
     19       3.8802      2.00025
     20       3.9457      2.00135
     21       5.4410     -0.00000
     22       5.5229     -0.00000
     23       5.6076     -0.00000
     24       5.6413     -0.00000
     25       6.8187     -0.00000
     26       6.8467     -0.00000
     27       7.0728     -0.00000
     28       7.3365     -0.00000
     29       7.8053     -0.00000
     30       7.8952     -0.00000
     31       7.9237     -0.00000
     32       8.0576     -0.00000
     33       8.4514     -0.00000
     34       8.9149     -0.00000
     35       8.9636     -0.00000
     36       9.1937     -0.00000
     37       9.4921     -0.00000
     38       9.5521     -0.00000
     39       9.7543     -0.00000
     40       9.9248     -0.00000
     41      10.2028      0.00000
     42      10.4786      0.00000
     43      10.6008      0.00000
     44      10.8559      0.00000

 k-point    49 :       0.0000    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.3637      2.00000
      2       1.5740      2.00000
      3       1.9778      2.00000
      4       2.2066      2.00000
      5       2.2356      2.00000
      6       2.3957      2.00000
      7       2.4407      2.00000
      8       2.5194      2.00000
      9       2.6201      2.00000
     10       2.6465      2.00000
     11       2.9634      2.00000
     12       3.0345      2.00000
     13       3.1744      2.00000
     14       3.1947      2.00000
     15       3.2232      2.00000
     16       3.2395      2.00000
     17       3.3846      2.00000
     18       3.4087      2.00000
     19       3.9248      2.00081
     20       4.1992      2.06684
     21       6.3638     -0.00000
     22       6.5697     -0.00000
     23       6.8267     -0.00000
     24       7.1064     -0.00000
     25       7.2186     -0.00000
     26       7.2245     -0.00000
     27       7.2386     -0.00000
     28       7.3748     -0.00000
     29       7.7507     -0.00000
     30       7.7943     -0.00000
     31       7.8009     -0.00000
     32       8.0566     -0.00000
     33       8.2116     -0.00000
     34       8.4329     -0.00000
     35       8.7200     -0.00000
     36       9.0670     -0.00000
     37       9.1545     -0.00000
     38       9.3519     -0.00000
     39       9.4776     -0.00000
     40       9.4794     -0.00000
     41       9.4967     -0.00000
     42       9.6446     -0.00000
     43       9.6558     -0.00000
     44       9.9321      0.00000

 k-point    50 :       0.1429    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.3828      2.00000
      2       1.5934      2.00000
      3       1.9974      2.00000
      4       2.1198      2.00000
      5       2.2376      2.00000
      6       2.2489      2.00000
      7       2.3472      2.00000
      8       2.4997      2.00000
      9       2.7173      2.00000
     10       2.7904      2.00000
     11       2.9193      2.00000
     12       2.9457      2.00000
     13       3.0303      2.00000
     14       3.1801      2.00000
     15       3.3033      2.00000
     16       3.4743      2.00000
     17       3.4755      2.00000
     18       3.6062      2.00000
     19       3.9489      2.00145
     20       4.2090      2.06929
     21       6.2162     -0.00000
     22       6.2788     -0.00000
     23       6.6221     -0.00000
     24       6.7679     -0.00000
     25       7.0769     -0.00000
     26       7.0939     -0.00000
     27       7.2790     -0.00000
     28       7.3431     -0.00000
     29       7.7249     -0.00000
     30       7.7391     -0.00000
     31       8.0503     -0.00000
     32       8.2719     -0.00000
     33       8.3128     -0.00000
     34       8.5977     -0.00000
     35       8.7003     -0.00000
     36       8.9907     -0.00000
     37       9.0318     -0.00000
     38       9.3260     -0.00000
     39       9.3797     -0.00000
     40       9.6408     -0.00000
     41       9.7001     -0.00000
     42       9.7619     -0.00000
     43       9.9415      0.00000
     44      10.1289      0.00000

 k-point    51 :       0.2857    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.4411      2.00000
      2       1.6521      2.00000
      3       1.8783      2.00000
      4       2.0498      2.00000
      5       2.0973      2.00000
      6       2.2926      2.00000
      7       2.3220      2.00000
      8       2.4904      2.00000
      9       2.5583      2.00000
     10       2.7150      2.00000
     11       2.7388      2.00000
     12       2.9597      2.00000
     13       3.2143      2.00000
     14       3.3531      2.00000
     15       3.5858      2.00000
     16       3.6956      2.00000
     17       3.7252      2.00000
     18       3.7748      2.00001
     19       4.0131      2.00583
     20       4.2219      2.07087
     21       5.8247     -0.00000
     22       5.8889     -0.00000
     23       6.1688     -0.00000
     24       6.2387     -0.00000
     25       6.9463     -0.00000
     26       7.0073     -0.00000
     27       7.0857     -0.00000
     28       7.1798     -0.00000
     29       7.7453     -0.00000
     30       7.7687     -0.00000
     31       8.1375     -0.00000
     32       8.1716     -0.00000
     33       8.4589     -0.00000
     34       8.8385     -0.00000
     35       8.9979     -0.00000
     36       9.0091     -0.00000
     37       9.1462     -0.00000
     38       9.3610     -0.00000
     39       9.3653     -0.00000
     40       9.7108     -0.00000
     41      10.0272      0.00000
     42      10.0724      0.00000
     43      10.3547      0.00000
     44      10.5605      0.00000

 k-point    52 :       0.4286    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.5408      2.00000
      2       1.6853      2.00000
      3       1.7522      2.00000
      4       1.8961      2.00000
      5       2.1602      2.00000
      6       2.3037      2.00000
      7       2.3903      2.00000
      8       2.4204      2.00000
      9       2.5306      2.00000
     10       2.5613      2.00000
     11       2.6604      2.00000
     12       2.7970      2.00000
     13       3.5783      2.00000
     14       3.6437      2.00000
     15       3.7337      2.00000
     16       3.7593      2.00001
     17       3.9052      2.00049
     18       3.9704      2.00238
     19       4.0190      2.00654
     20       4.1679      2.05472
     21       5.5950     -0.00000
     22       5.6761     -0.00000
     23       5.7685     -0.00000
     24       5.8195     -0.00000
     25       6.8518     -0.00000
     26       6.8980     -0.00000
     27       6.9624     -0.00000
     28       7.0779     -0.00000
     29       7.8042     -0.00000
     30       7.8434     -0.00000
     31       7.9607     -0.00000
     32       7.9777     -0.00000
     33       8.6186     -0.00000
     34       8.8885     -0.00000
     35       9.1761     -0.00000
     36       9.1905     -0.00000
     37       9.3330     -0.00000
     38       9.3527     -0.00000
     39       9.4542     -0.00000
     40       9.6497     -0.00000
     41      10.3313      0.00000
     42      10.5530      0.00000
     43      10.6111      0.00000
     44      10.9320      0.00000

 k-point    53 :       0.0000    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.4024      2.00000
      2       1.6148      2.00000
      3       1.7663      2.00000
      4       1.9935      2.00000
      5       2.4440      2.00000
      6       2.4814      2.00000
      7       2.5214      2.00000
      8       2.6514      2.00000
      9       2.7069      2.00000
     10       2.8059      2.00000
     11       2.8163      2.00000
     12       2.8549      2.00000
     13       3.0087      2.00000
     14       3.0517      2.00000
     15       3.3786      2.00000
     16       3.4277      2.00000
     17       3.5202      2.00000
     18       3.5475      2.00000
     19       3.6885      2.00000
     20       3.9535      2.00162
     21       6.4025     -0.00000
     22       6.5460     -0.00000
     23       6.6141     -0.00000
     24       6.8275     -0.00000
     25       7.2553     -0.00000
     26       7.2934     -0.00000
     27       7.4821     -0.00000
     28       7.5284     -0.00000
     29       7.6310     -0.00000
     30       7.6365     -0.00000
     31       7.7739     -0.00000
     32       7.9867     -0.00000
     33       8.3552     -0.00000
     34       8.6875     -0.00000
     35       8.8473     -0.00000
     36       9.0610     -0.00000
     37       9.2202     -0.00000
     38       9.2424     -0.00000
     39       9.5222     -0.00000
     40       9.7106     -0.00000
     41       9.8045     -0.00000
     42       9.8478     -0.00000
     43       9.8495     -0.00000
     44      10.1660      0.00000

 k-point    54 :       0.1429    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.4217      2.00000
      2       1.6342      2.00000
      3       1.7862      2.00000
      4       2.0127      2.00000
      5       2.1663      2.00000
      6       2.3684      2.00000
      7       2.5221      2.00000
      8       2.5786      2.00000
      9       2.7297      2.00000
     10       2.7718      2.00000
     11       2.8993      2.00000
     12       3.0103      2.00000
     13       3.1407      2.00000
     14       3.2278      2.00000
     15       3.3067      2.00000
     16       3.4028      2.00000
     17       3.5925      2.00000
     18       3.6554      2.00000
     19       3.7207      2.00000
     20       3.9685      2.00228
     21       6.2181     -0.00000
     22       6.2204     -0.00000
     23       6.5281     -0.00000
     24       6.5927     -0.00000
     25       7.0795     -0.00000
     26       7.0926     -0.00000
     27       7.4777     -0.00000
     28       7.5142     -0.00000
     29       7.7382     -0.00000
     30       7.8298     -0.00000
     31       7.9214     -0.00000
     32       8.0775     -0.00000
     33       8.3991     -0.00000
     34       8.6565     -0.00000
     35       8.8462     -0.00000
     36       9.0758     -0.00000
     37       9.1542     -0.00000
     38       9.2992     -0.00000
     39       9.6319     -0.00000
     40       9.7340     -0.00000
     41       9.7672     -0.00000
     42       9.9751      0.00000
     43      10.1552      0.00000
     44      10.3043      0.00000

 k-point    55 :       0.2857    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.4802      2.00000
      2       1.6931      2.00000
      3       1.8461      2.00000
      4       1.9180      2.00000
      5       2.0755      2.00000
      6       2.1310      2.00000
      7       2.2873      2.00000
      8       2.5112      2.00000
      9       2.6272      2.00000
     10       2.8608      2.00000
     11       3.0033      2.00000
     12       3.1713      2.00000
     13       3.2873      2.00000
     14       3.3802      2.00000
     15       3.4887      2.00000
     16       3.5760      2.00000
     17       3.7210      2.00000
     18       3.7469      2.00000
     19       3.8288      2.00006
     20       4.0068      2.00514
     21       5.7664     -0.00000
     22       5.8448     -0.00000
     23       6.0696     -0.00000
     24       6.0774     -0.00000
     25       7.0703     -0.00000
     26       7.0901     -0.00000
     27       7.2576     -0.00000
     28       7.4171     -0.00000
     29       7.7865     -0.00000
     30       7.8397     -0.00000
     31       8.1068     -0.00000
     32       8.1980     -0.00000
     33       8.3949     -0.00000
     34       8.7579     -0.00000
     35       8.9474     -0.00000
     36       9.1413     -0.00000
     37       9.2191     -0.00000
     38       9.3800     -0.00000
     39       9.6744     -0.00000
     40       9.8699     -0.00000
     41       9.9032     -0.00000
     42      10.1115      0.00000
     43      10.4951      0.00000
     44      10.7106      0.00000

 k-point    56 :       0.4286    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.5802      2.00000
      2       1.7251      2.00000
      3       1.7932      2.00000
      4       1.9316      2.00000
      5       1.9554      2.00000
      6       2.0958      2.00000
      7       2.1759      2.00000
      8       2.3225      2.00000
      9       2.7197      2.00000
     10       2.8495      2.00000
     11       2.9520      2.00000
     12       3.0710      2.00000
     13       3.5811      2.00000
     14       3.6352      2.00000
     15       3.6782      2.00000
     16       3.6997      2.00000
     17       3.7813      2.00001
     18       3.8940      2.00037
     19       3.8984      2.00041
     20       4.0205      2.00673
     21       5.4971     -0.00000
     22       5.5672     -0.00000
     23       5.6574     -0.00000
     24       5.6665     -0.00000
     25       7.0641     -0.00000
     26       7.1149     -0.00000
     27       7.1203     -0.00000
     28       7.3657     -0.00000
     29       7.7997     -0.00000
     30       7.8658     -0.00000
     31       8.0371     -0.00000
     32       8.0497     -0.00000
     33       8.4308     -0.00000
     34       8.9878     -0.00000
     35       9.0589     -0.00000
     36       9.2993     -0.00000
     37       9.3453     -0.00000
     38       9.4783     -0.00000
     39       9.5302     -0.00000
     40       9.7658     -0.00000
     41      10.1224      0.00000
     42      10.3440      0.00000
     43      10.6314      0.00000
     44      10.8764      0.00000

 k-point    57 :       0.0000    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.4810      2.00000
      2       1.6015      2.00000
      3       1.6972      2.00000
      4       1.8228      2.00000
      5       2.5180      2.00000
      6       2.5617      2.00000
      7       2.6189      2.00000
      8       2.6715      2.00000
      9       2.7294      2.00000
     10       2.7750      2.00000
     11       2.8556      2.00000
     12       2.8828      2.00000
     13       2.9624      2.00000
     14       3.1917      2.00000
     15       3.3243      2.00000
     16       3.5095      2.00000
     17       3.5623      2.00000
     18       3.5996      2.00000
     19       3.6010      2.00000
     20       3.6067      2.00000
     21       6.4498     -0.00000
     22       6.4894     -0.00000
     23       6.5392     -0.00000
     24       6.6219     -0.00000
     25       7.0898     -0.00000
     26       7.1143     -0.00000
     27       7.4483     -0.00000
     28       7.5059     -0.00000
     29       7.9147     -0.00000
     30       7.9282     -0.00000
     31       7.9627     -0.00000
     32       7.9931     -0.00000
     33       8.5093     -0.00000
     34       8.6924     -0.00000
     35       8.8184     -0.00000
     36       8.9434     -0.00000
     37       9.2525     -0.00000
     38       9.3908     -0.00000
     39       9.4226     -0.00000
     40       9.5404     -0.00000
     41      10.2061      0.00000
     42      10.3434      0.00000
     43      10.3873      0.00000
     44      10.5338      0.00000

 k-point    58 :       0.1429    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.5004      2.00000
      2       1.6210      2.00000
      3       1.7169      2.00000
      4       1.8427      2.00000
      5       2.2446      2.00000
      6       2.3624      2.00000
      7       2.4593      2.00000
      8       2.5816      2.00000
      9       2.8798      2.00000
     10       2.8955      2.00000
     11       3.0001      2.00000
     12       3.1321      2.00000
     13       3.1326      2.00000
     14       3.2371      2.00000
     15       3.3721      2.00000
     16       3.4302      2.00000
     17       3.5632      2.00000
     18       3.6091      2.00000
     19       3.6152      2.00000
     20       3.6330      2.00000
     21       6.2315     -0.00000
     22       6.2458     -0.00000
     23       6.3671     -0.00000
     24       6.3836     -0.00000
     25       7.1168     -0.00000
     26       7.1518     -0.00000
     27       7.4313     -0.00000
     28       7.4744     -0.00000
     29       7.9364     -0.00000
     30       7.9488     -0.00000
     31       8.0034     -0.00000
     32       8.0529     -0.00000
     33       8.6159     -0.00000
     34       8.6649     -0.00000
     35       8.8354     -0.00000
     36       9.0597     -0.00000
     37       9.2867     -0.00000
     38       9.3545     -0.00000
     39       9.5152     -0.00000
     40       9.6061     -0.00000
     41      10.2169      0.00000
     42      10.3331      0.00000
     43      10.4796      0.00000
     44      10.6459      0.00000

 k-point    59 :       0.2857    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.5594      2.00000
      2       1.6803      2.00000
      3       1.7766      2.00000
      4       1.9021      2.00000
      5       2.0004      2.00000
      6       2.1204      2.00000
      7       2.2186      2.00000
      8       2.3440      2.00000
      9       2.9636      2.00000
     10       3.1430      2.00000
     11       3.2444      2.00000
     12       3.2587      2.00000
     13       3.3535      2.00000
     14       3.3961      2.00000
     15       3.4815      2.00000
     16       3.4940      2.00000
     17       3.5595      2.00000
     18       3.6502      2.00000
     19       3.6627      2.00000
     20       3.7026      2.00000
     21       5.7755     -0.00000
     22       5.8415     -0.00000
     23       5.8995     -0.00000
     24       5.9448     -0.00000
     25       7.1883     -0.00000
     26       7.2014     -0.00000
     27       7.4093     -0.00000
     28       7.4854     -0.00000
     29       7.8847     -0.00000
     30       7.9195     -0.00000
     31       7.9986     -0.00000
     32       8.1631     -0.00000
     33       8.7056     -0.00000
     34       8.7332     -0.00000
     35       8.9416     -0.00000
     36       9.1658     -0.00000
     37       9.3482     -0.00000
     38       9.3625     -0.00000
     39       9.5922     -0.00000
     40       9.6546     -0.00000
     41      10.3150      0.00000
     42      10.4441      0.00000
     43      10.6098      0.00000
     44      10.8157      0.00000

 k-point    60 :       0.4286    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.6599      2.00000
      2       1.7810      2.00000
      3       1.8053      2.00000
      4       1.8764      2.00000
      5       1.9295      2.00000
      6       2.0051      2.00000
      7       2.0256      2.00000
      8       2.1521      2.00000
      9       3.0479      2.00000
     10       3.1552      2.00000
     11       3.2472      2.00000
     12       3.3012      2.00000
     13       3.4564      2.00000
     14       3.4943      2.00000
     15       3.5419      2.00000
     16       3.6166      2.00000
     17       3.7098      2.00000
     18       3.7900      2.00002
     19       3.8166      2.00004
     20       3.8270      2.00005
     21       5.4538     -0.00000
     22       5.5036     -0.00000
     23       5.5222     -0.00000
     24       5.5588     -0.00000
     25       7.2157     -0.00000
     26       7.2454     -0.00000
     27       7.4028     -0.00000
     28       7.5381     -0.00000
     29       7.8630     -0.00000
     30       7.9208     -0.00000
     31       7.9534     -0.00000
     32       8.1007     -0.00000
     33       8.6499     -0.00000
     34       8.9195     -0.00000
     35       9.0899     -0.00000
     36       9.1390     -0.00000
     37       9.3953     -0.00000
     38       9.4406     -0.00000
     39       9.5339     -0.00000
     40       9.6022     -0.00000
     41      10.4161      0.00000
     42      10.5834      0.00000
     43      10.7146      0.00000
     44      10.9097      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
  1.204   5.375  -0.004   0.012   0.004
  5.375  22.973  -0.015   0.044   0.015
 -0.004  -0.015  -0.240  -0.001   0.002
  0.012   0.044  -0.001  -0.249  -0.000
  0.004   0.015   0.002  -0.000  -0.241
 total augmentation occupancy for first ion, spin component:           1
  2.390  -0.037   0.039  -0.111  -0.040
 -0.037   0.001  -0.002   0.003   0.002
  0.039  -0.002   0.221  -0.007   0.011
 -0.111   0.003  -0.007   0.139   0.002
 -0.040   0.002   0.011   0.002   0.209


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


    CHARGE:  cpu time    0.1971: real time    0.1971
    FORLOC:  cpu time    0.0120: real time    0.0120
    FORNL :  cpu time   13.9596: real time   13.9615
    STRESS:  cpu time    4.6661: real time    4.6666
    FORCOR:  cpu time    0.0289: real time    0.0308
    FORHAR:  cpu time    0.0219: real time    0.0219
    MIXING:  cpu time    0.0051: real time    0.0051
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    14.66956    14.66956    14.66956
  Ewald    -143.53090  -148.60744  -130.75341     0.00000     0.00000    -0.00000
  Hartree     1.18521     0.68948     1.05764    -0.00000    -0.00000     0.00000
  E(xc)    -108.52915  -108.98823  -107.79440     0.00000     0.00000    -0.00000
  Local       7.69430     2.19308    11.57443     0.00000     0.00000    -0.00000
  n-local   130.62824   131.23499   128.18376     0.01966     0.07501    -0.21151
  augment     7.39833     7.55321     7.07967    -0.00000    -0.00000     0.00000
  Kinetic   215.29409   226.14058   200.76942     0.07354    -1.14624    -0.90329
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     124.80969   124.88523   124.78666     0.00000     0.00000     0.00000
  in kB     699.84997   700.27355   699.72084     0.00000     0.00000     0.00000
  external pressure =       -0.05 kB  Pullay stress =      700.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      650.00
  volume of cell :      285.73
      direct lattice vectors                 reciprocal lattice vectors
     6.899471416  0.000000000  0.000000000     0.144938639  0.000000000  0.000000000
     0.000000000  8.160776364  0.000000000     0.000000000  0.122537361  0.000000000
     0.000000000  0.000000000  5.074656493     0.000000000  0.000000000  0.197057673

  length of vectors
     6.899471416  8.160776364  5.074656493     0.144938639  0.122537361  0.197057673


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.414E-01 0.104E+00 -.257E+00   -.441E+00 0.362E+00 -.116E+01   0.485E+00 -.464E+00 0.141E+01   0.388E-07 -.383E-06 0.183E-06
   0.414E-01 -.104E+00 -.257E+00   0.441E+00 -.362E+00 -.116E+01   -.485E+00 0.464E+00 0.141E+01   -.387E-07 0.383E-06 0.183E-06
   -.414E-01 -.104E+00 -.257E+00   -.441E+00 -.362E+00 -.116E+01   0.485E+00 0.464E+00 0.141E+01   0.388E-07 0.383E-06 0.183E-06
   0.414E-01 0.104E+00 -.257E+00   0.441E+00 0.362E+00 -.116E+01   -.485E+00 -.464E+00 0.141E+01   -.388E-07 -.383E-06 0.183E-06
   -.414E-01 0.104E+00 -.257E+00   -.441E+00 0.362E+00 -.116E+01   0.485E+00 -.464E+00 0.141E+01   0.388E-07 -.383E-06 0.183E-06
   0.414E-01 -.104E+00 -.257E+00   0.441E+00 -.362E+00 -.116E+01   -.485E+00 0.464E+00 0.141E+01   -.388E-07 0.383E-06 0.183E-06
   -.414E-01 -.104E+00 -.257E+00   -.441E+00 -.362E+00 -.116E+01   0.485E+00 0.464E+00 0.141E+01   0.388E-07 0.383E-06 0.183E-06
   0.414E-01 0.104E+00 -.257E+00   0.441E+00 0.362E+00 -.116E+01   -.485E+00 -.464E+00 0.141E+01   -.388E-07 -.383E-06 0.183E-06
   -.181E-01 -.371E-01 0.129E+00   -.511E-01 -.227E+00 0.721E+00   0.669E-01 0.262E+00 -.850E+00   0.315E-06 0.749E-06 0.271E-06
   0.181E-01 0.371E-01 0.129E+00   0.511E-01 0.227E+00 0.721E+00   -.669E-01 -.262E+00 -.850E+00   -.315E-06 -.749E-06 0.271E-06
   -.181E-01 0.371E-01 0.129E+00   -.511E-01 0.227E+00 0.721E+00   0.669E-01 -.262E+00 -.850E+00   0.315E-06 -.749E-06 0.271E-06
   0.181E-01 -.371E-01 0.129E+00   0.511E-01 -.227E+00 0.721E+00   -.669E-01 0.262E+00 -.850E+00   -.315E-06 0.749E-06 0.271E-06
   -.181E-01 -.371E-01 0.129E+00   -.511E-01 -.227E+00 0.721E+00   0.669E-01 0.262E+00 -.850E+00   0.315E-06 0.749E-06 0.271E-06
   0.181E-01 0.371E-01 0.129E+00   0.511E-01 0.227E+00 0.721E+00   -.669E-01 -.262E+00 -.850E+00   -.315E-06 -.749E-06 0.271E-06
   -.181E-01 0.371E-01 0.129E+00   -.511E-01 0.227E+00 0.721E+00   0.669E-01 -.262E+00 -.850E+00   0.315E-06 -.749E-06 0.271E-06
   0.181E-01 -.371E-01 0.129E+00   0.511E-01 -.227E+00 0.721E+00   -.669E-01 0.262E+00 -.850E+00   -.315E-06 0.749E-06 0.271E-06
   -.283E+00 -.148E+00 0.262E-01   -.648E+00 -.255E-01 0.735E-01   0.933E+00 0.175E+00 -.997E-01   -.350E-06 -.609E-06 -.518E-06
   0.283E+00 0.148E+00 0.262E-01   0.648E+00 0.255E-01 0.735E-01   -.933E+00 -.175E+00 -.997E-01   0.350E-06 0.609E-06 -.518E-06
   -.283E+00 0.148E+00 0.262E-01   -.648E+00 0.255E-01 0.735E-01   0.933E+00 -.175E+00 -.997E-01   -.350E-06 0.609E-06 -.518E-06
   0.283E+00 -.148E+00 0.262E-01   0.648E+00 -.255E-01 0.735E-01   -.933E+00 0.175E+00 -.997E-01   0.350E-06 -.609E-06 -.518E-06
   -.283E+00 -.148E+00 0.262E-01   -.648E+00 -.255E-01 0.735E-01   0.933E+00 0.175E+00 -.997E-01   -.350E-06 -.609E-06 -.518E-06
   0.283E+00 0.148E+00 0.262E-01   0.648E+00 0.255E-01 0.735E-01   -.933E+00 -.175E+00 -.997E-01   0.350E-06 0.609E-06 -.518E-06
   -.283E+00 0.148E+00 0.262E-01   -.648E+00 0.255E-01 0.735E-01   0.933E+00 -.175E+00 -.997E-01   -.350E-06 0.609E-06 -.518E-06
   0.283E+00 -.148E+00 0.262E-01   0.648E+00 -.255E-01 0.735E-01   -.933E+00 0.175E+00 -.997E-01   0.350E-06 -.609E-06 -.518E-06
   -.490E-01 -.631E-01 0.127E-01   -.196E+00 0.585E-01 0.369E-01   0.242E+00 0.179E-04 -.508E-01   -.151E-06 0.553E-06 0.102E-06
   0.490E-01 0.631E-01 0.127E-01   0.196E+00 -.585E-01 0.369E-01   -.242E+00 -.179E-04 -.508E-01   0.151E-06 -.553E-06 0.102E-06
   -.490E-01 0.631E-01 0.127E-01   -.196E+00 -.585E-01 0.369E-01   0.242E+00 -.179E-04 -.508E-01   -.151E-06 -.553E-06 0.102E-06
   0.490E-01 -.631E-01 0.127E-01   0.196E+00 0.585E-01 0.369E-01   -.242E+00 0.179E-04 -.508E-01   0.151E-06 0.553E-06 0.102E-06
   -.490E-01 -.631E-01 0.127E-01   -.196E+00 0.585E-01 0.369E-01   0.242E+00 0.179E-04 -.508E-01   -.151E-06 0.553E-06 0.102E-06
   0.490E-01 0.631E-01 0.127E-01   0.196E+00 -.585E-01 0.369E-01   -.242E+00 -.179E-04 -.508E-01   0.151E-06 -.553E-06 0.102E-06
   -.490E-01 0.631E-01 0.127E-01   -.196E+00 -.585E-01 0.369E-01   0.242E+00 -.179E-04 -.508E-01   -.151E-06 -.553E-06 0.102E-06
   0.490E-01 -.631E-01 0.127E-01   0.196E+00 0.585E-01 0.369E-01   -.242E+00 0.179E-04 -.508E-01   0.151E-06 0.553E-06 0.102E-06
   0.438E-01 0.151E+00 0.992E-01   0.207E+00 -.145E+00 0.324E+00   -.242E+00 -.955E-04 -.425E+00   -.584E-06 0.206E-06 -.530E-07
   -.438E-01 -.151E+00 0.992E-01   -.207E+00 0.145E+00 0.324E+00   0.242E+00 0.955E-04 -.425E+00   0.584E-06 -.206E-06 -.530E-07
   0.438E-01 -.151E+00 0.992E-01   0.207E+00 0.145E+00 0.324E+00   -.242E+00 0.955E-04 -.425E+00   -.584E-06 -.206E-06 -.530E-07
   -.438E-01 0.151E+00 0.992E-01   -.207E+00 -.145E+00 0.324E+00   0.242E+00 -.955E-04 -.425E+00   0.584E-06 0.206E-06 -.530E-07
   0.438E-01 0.151E+00 0.992E-01   0.207E+00 -.145E+00 0.324E+00   -.242E+00 -.955E-04 -.425E+00   -.584E-06 0.206E-06 -.530E-07
   -.438E-01 -.151E+00 0.992E-01   -.207E+00 0.145E+00 0.324E+00   0.242E+00 0.955E-04 -.425E+00   0.584E-06 -.206E-06 -.530E-07
   0.438E-01 -.151E+00 0.992E-01   0.207E+00 0.145E+00 0.324E+00   -.242E+00 0.955E-04 -.425E+00   -.584E-06 -.206E-06 -.530E-07
   -.438E-01 0.151E+00 0.992E-01   -.207E+00 -.145E+00 0.324E+00   0.242E+00 -.955E-04 -.425E+00   0.584E-06 0.206E-06 -.530E-07
 -----------------------------------------------------------------------------------------------
   -.287E-04 0.240E-04 0.798E-01   0.361E-15 0.222E-15 -.350E-14   0.111E-15 0.291E-16 -.806E-01   -.329E-13 -.669E-13 -.124E-06
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.64138      0.94998     -0.00285         0.002637      0.002022      0.001604
      6.25809      7.21080     -0.00285        -0.002637     -0.002022      0.001604
      4.09112      3.13041     -0.00285         0.002637     -0.002022      0.001604
      2.80835      5.03037     -0.00285        -0.002637      0.002022      0.001604
      0.64138      5.03037      2.53448         0.002637      0.002022      0.001604
      6.25809      3.13041      2.53448        -0.002637     -0.002022      0.001604
      4.09112      7.21080      2.53448         0.002637     -0.002022      0.001604
      2.80835      0.94998      2.53448        -0.002637      0.002022      0.001604
      5.95796      7.36874      1.59187        -0.002306     -0.002705      0.000500
      0.94151      0.79204      1.59187         0.002306      0.002705      0.000500
      2.50823      4.87243      1.59187        -0.002306      0.002705      0.000500
      4.39124      3.28835      1.59187         0.002306     -0.002705      0.000500
      5.95796      3.28835      4.12919        -0.002306     -0.002705      0.000500
      0.94151      4.87243      4.12919         0.002306      0.002705      0.000500
      2.50823      0.79204      4.12919        -0.002306      0.002705      0.000500
      4.39124      7.36874      4.12919         0.002306     -0.002705      0.000500
      6.67363      0.95595      3.01191         0.001774      0.001278     -0.000076
      0.22584      7.20483      3.01191        -0.001774     -0.001278     -0.000076
      3.22389      3.12444      3.01191         0.001774     -0.001278     -0.000076
      3.67558      5.03633      3.01191        -0.001774      0.001278     -0.000076
      6.67363      5.03633      0.47459         0.001774      0.001278     -0.000076
      0.22584      3.12444      0.47459        -0.001774     -0.001278     -0.000076
      3.22389      7.20483      0.47459         0.001774     -0.001278     -0.000076
      3.67558      0.95595      0.47459        -0.001774      0.001278     -0.000076
      2.41979      2.18696      0.89725        -0.003448     -0.004554     -0.001114
      4.47969      5.97381      0.89725         0.003448      0.004554     -0.001114
      5.86952      1.89343      0.89725        -0.003448      0.004554     -0.001114
      1.02995      6.26735      0.89725         0.003448     -0.004554     -0.001114
      2.41979      6.26735      3.43458        -0.003448     -0.004554     -0.001114
      4.47969      1.89343      3.43458         0.003448      0.004554     -0.001114
      5.86952      5.97381      3.43458        -0.003448      0.004554     -0.001114
      1.02995      2.18696      3.43458         0.003448     -0.004554     -0.001114
      2.00687      7.44196      1.91477         0.008581      0.006044     -0.000914
      4.89260      0.71882      1.91477        -0.008581     -0.006044     -0.000914
      5.45661      4.79921      1.91477         0.008581     -0.006044     -0.000914
      1.44286      3.36157      1.91477        -0.008581      0.006044     -0.000914
      2.00687      3.36157      4.45210         0.008581      0.006044     -0.000914
      4.89260      4.79921      4.45210        -0.008581     -0.006044     -0.000914
      5.45661      0.71882      4.45210         0.008581     -0.006044     -0.000914
      1.44286      7.44196      4.45210        -0.008581      0.006044     -0.000914
 -----------------------------------------------------------------------------------
    total drift:                               -0.000029      0.000024     -0.000831


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -16.92426788 eV

  energy  without entropy=      -16.93418635  energy(sigma->0) =      -16.92757404
  enthalpy is  TOTEN    =       107.91218036 eV   P V=      124.83644825

 d Force = 0.3675919E-03[ 0.234E-03, 0.501E-03]  d Energy = 0.3807362E-03-0.131E-04
 d Force = 0.4969830E-02[ 0.480E-02, 0.514E-02]  d Ewald  =-0.1023302E-01 0.152E-01


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


    POTLOK:  cpu time    0.0281: real time    0.0281


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


 Conjugate gradient step on ions:
 trial-energy change:   -0.000381  1 .order   -0.000381   -0.000548   -0.000213
  (g-gl).g = 0.404E-03      g.g   = 0.404E-03  gl.gl    = 0.556E-03
 g(Force)  = 0.395E-03   g(Stress)= 0.848E-05 ortho     =-0.940E-07
 gamma     =   0.72737
 trial     =   1.35779
 opt step  =   2.22200  (harmonic =   2.22200) maximal distance =0.00251119
 next E    =   107.912113   (d E  =  -0.00045)


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


    WAVPRE:  cpu time    0.0065: real time    0.0065
 FEWALD executed in parallel
    FEWALD:  cpu time    0.0029: real time    0.0029
    GENKIN:  cpu time    0.0287: real time    0.0287
    ORTHCH:  cpu time    0.5367: real time    0.5368
     LOOP+:  cpu time   47.2558: real time   47.3772


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


    POTLOK:  cpu time    0.0221: real time    0.0221
    SETDIJ:  cpu time    0.0056: real time    0.0056
     EDDAV:  cpu time    4.9749: real time    4.9755
       DOS:  cpu time    0.0076: real time    0.0076
    CHARGE:  cpu time    0.1723: real time    0.1723
    MIXING:  cpu time    0.0029: real time    0.0029
    --------------------------------------------
      LOOP:  cpu time    5.1876: real time    5.1902

 eigenvalue-minimisations  :  5732
 total energy-change (2. order) :-0.8164327E-02  (-0.2222211E-03)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9507014 magnetization 

  free energy =  -0.169324322033E+02  energy without entropy=  -0.169422826241E+02


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




----------------------------------------- Iteration   10(   2)  ---------------------------------------


    POTLOK:  cpu time    0.0215: real time    0.0216
    SETDIJ:  cpu time    0.0062: real time    0.0062
     EDDAV:  cpu time    5.6060: real time    5.6084
       DOS:  cpu time    0.0073: real time    0.0073
    CHARGE:  cpu time    0.1695: real time    0.1695
    MIXING:  cpu time    0.0038: real time    0.0038
    --------------------------------------------
      LOOP:  cpu time    5.8154: real time    5.8195

 eigenvalue-minimisations  :  6784
 total energy-change (2. order) : 0.3667856E-06  (-0.3960459E-05)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9507194 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8377
  1.8377

  free energy =  -0.169324318365E+02  energy without entropy=  -0.169422803409E+02


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




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


    POTLOK:  cpu time    0.0217: real time    0.0218
    SETDIJ:  cpu time    0.0067: real time    0.0078
     EDDAV:  cpu time    4.9343: real time    4.9357
       DOS:  cpu time    0.0072: real time    0.0072
    CHARGE:  cpu time    0.1693: real time    0.1693
    MIXING:  cpu time    0.0039: real time    0.0039
    --------------------------------------------
      LOOP:  cpu time    5.1443: real time    5.1474

 eigenvalue-minimisations  :  5548
 total energy-change (2. order) : 0.6156122E-06  (-0.1823161E-06)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9507209 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.8637
  1.3143  2.4131

  free energy =  -0.169324312209E+02  energy without entropy=  -0.169422784328E+02


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




----------------------------------------- Iteration   10(   4)  ---------------------------------------


    POTLOK:  cpu time    0.0219: real time    0.0219
    SETDIJ:  cpu time    0.0059: real time    0.0059
     EDDAV:  cpu time    3.6275: real time    3.6279
       DOS:  cpu time    0.0068: real time    0.0068
    CHARGE:  cpu time    0.2163: real time    0.2163
    MIXING:  cpu time    0.0034: real time    0.0034
    --------------------------------------------
      LOOP:  cpu time    3.8829: real time    3.8833

 eigenvalue-minimisations  :  3156
 total energy-change (2. order) :-0.3281855E-07  (-0.3718773E-07)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9507217 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7886
  0.9885  1.6750  2.7024

  free energy =  -0.169324312537E+02  energy without entropy=  -0.169422783669E+02


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




----------------------------------------- Iteration   10(   5)  ---------------------------------------


    POTLOK:  cpu time    0.0193: real time    0.0193
    SETDIJ:  cpu time    0.0046: real time    0.0046
     EDDAV:  cpu time    3.4024: real time    3.4028
       DOS:  cpu time    0.0070: real time    0.0070
    CHARGE:  cpu time    0.2087: real time    0.2087
    MIXING:  cpu time    0.0037: real time    0.0037
    --------------------------------------------
      LOOP:  cpu time    3.6467: real time    3.6471

 eigenvalue-minimisations  :  2928
 total energy-change (2. order) :-0.2638899E-08  (-0.5471545E-08)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9507221 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.7628
  2.8533  1.9088  0.9743  1.3148

  free energy =  -0.169324312564E+02  energy without entropy=  -0.169422784118E+02


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




----------------------------------------- Iteration   10(   6)  ---------------------------------------


    POTLOK:  cpu time    0.0203: real time    0.0203
    SETDIJ:  cpu time    0.0062: real time    0.0062
     EDDAV:  cpu time    3.2267: real time    3.2279
       DOS:  cpu time    0.0071: real time    0.0071
    --------------------------------------------
      LOOP:  cpu time    3.2612: real time    3.2624

 eigenvalue-minimisations  :  2812
 total energy-change (2. order) :-0.4326694E-08  (-0.8674758E-09)
 number of electron      40.0000003 magnetization 
 augmentation part        0.9507221 magnetization 

  free energy =  -0.169324312607E+02  energy without entropy=  -0.169422784052E+02


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




 average (electrostatic) potential at core
  the test charge radii are     0.9748
  (the norm of the test charge is              1.0000)
       1 -25.9708       2 -25.9708       3 -25.9708       4 -25.9708       5 -25.9708
       6 -25.9708       7 -25.9708       8 -25.9708       9 -25.8928      10 -25.8928
      11 -25.8928      12 -25.8928      13 -25.8928      14 -25.8928      15 -25.8928
      16 -25.8928      17 -25.9187      18 -25.9187      19 -25.9187      20 -25.9187
      21 -25.9187      22 -25.9187      23 -25.9187      24 -25.9187      25 -25.8324
      26 -25.8324      27 -25.8324      28 -25.8324      29 -25.8324      30 -25.8324
      31 -25.8324      32 -25.8324      33 -26.0240      34 -26.0240      35 -26.0240
      36 -26.0240      37 -26.0240      38 -26.0240      39 -26.0240      40 -26.0240
 
 
 
 E-fermi :   4.4702     XC(G=0):  -9.5542     alpha+bet :-20.5593


 k-point     1 :       0.0000    0.0833    0.0500
  band No.  band energies     occupation 
      1       0.9601      2.00000
      2       1.5062      2.00000
      3       1.7435      2.00000
      4       1.9934      2.00000
      5       2.0313      2.00000
      6       2.5103      2.00000
      7       2.6157      2.00000
      8       2.7657      2.00000
      9       2.8651      2.00000
     10       2.9220      2.00000
     11       3.2237      2.00000
     12       3.2703      2.00000
     13       3.3990      2.00000
     14       3.4292      2.00000
     15       3.5246      2.00000
     16       3.6273      2.00000
     17       3.8443      2.00009
     18       4.1843      2.06128
     19       4.2138      2.06997
     20       4.3921      1.60891
     21       5.5181     -0.00000
     22       5.7113     -0.00000
     23       5.9222     -0.00000
     24       6.1045     -0.00000
     25       6.2221     -0.00000
     26       6.2774     -0.00000
     27       6.5407     -0.00000
     28       7.1221     -0.00000
     29       7.1324     -0.00000
     30       7.2519     -0.00000
     31       7.3749     -0.00000
     32       7.3983     -0.00000
     33       8.0606     -0.00000
     34       8.1281     -0.00000
     35       8.8193     -0.00000
     36       8.9507     -0.00000
     37       9.2401     -0.00000
     38       9.4113     -0.00000
     39       9.7945     -0.00000
     40       9.8313     -0.00000
     41      10.0845      0.00000
     42      10.2981      0.00000
     43      10.5553      0.00000
     44      10.8026      0.00000

 k-point     2 :       0.1429    0.0833    0.0500
  band No.  band energies     occupation 
      1       0.9784      2.00000
      2       1.5263      2.00000
      3       1.7060      2.00000
      4       1.7643      2.00000
      5       2.2712      2.00000
      6       2.3824      2.00000
      7       2.5236      2.00000
      8       2.8633      2.00000
      9       2.9612      2.00000
     10       3.1418      2.00000
     11       3.2512      2.00000
     12       3.2840      2.00000
     13       3.3726      2.00000
     14       3.4355      2.00000
     15       3.5541      2.00000
     16       3.6306      2.00000
     17       3.7785      2.00001
     18       4.0630      2.01419
     19       4.2323      2.07051
     20       4.4357      1.28766
     21       5.4144     -0.00000
     22       5.5654     -0.00000
     23       5.8883     -0.00000
     24       5.9997     -0.00000
     25       6.1341     -0.00000
     26       6.5346     -0.00000
     27       6.6119     -0.00000
     28       6.8133     -0.00000
     29       7.1046     -0.00000
     30       7.2408     -0.00000
     31       7.2954     -0.00000
     32       7.3921     -0.00000
     33       8.3128     -0.00000
     34       8.3664     -0.00000
     35       8.8319     -0.00000
     36       8.8791     -0.00000
     37       9.2600     -0.00000
     38       9.4159     -0.00000
     39       9.7324     -0.00000
     40       9.9125     -0.00000
     41      10.0600      0.00000
     42      10.1535      0.00000
     43      10.8433      0.00000
     44      10.9314      0.00000

 k-point     3 :       0.2857    0.0833    0.0500
  band No.  band energies     occupation 
      1       1.0343      2.00000
      2       1.4609      2.00000
      3       1.5870      2.00000
      4       1.8267      2.00000
      5       2.0313      2.00000
      6       2.2809      2.00000
      7       2.8135      2.00000
      8       2.9644      2.00000
      9       3.2333      2.00000
     10       3.2657      2.00000
     11       3.3206      2.00000
     12       3.3364      2.00000
     13       3.4285      2.00000
     14       3.5253      2.00000
     15       3.5788      2.00000
     16       3.6264      2.00000
     17       3.7299      2.00000
     18       3.8506      2.00011
     19       4.1529      2.04737
     20       4.3416      1.87686
     21       5.3200     -0.00000
     22       5.4232     -0.00000
     23       5.7800     -0.00000
     24       5.8327     -0.00000
     25       5.8872     -0.00000
     26       6.2215     -0.00000
     27       6.7600     -0.00000
     28       7.0277     -0.00000
     29       7.1106     -0.00000
     30       7.2199     -0.00000
     31       7.2655     -0.00000
     32       7.5417     -0.00000
     33       8.4619     -0.00000
     34       8.4898     -0.00000
     35       8.7469     -0.00000
     36       8.8992     -0.00000
     37       9.2061     -0.00000
     38       9.3266     -0.00000
     39       9.7931     -0.00000
     40       9.8718     -0.00000
     41      10.1414      0.00000
     42      10.3396      0.00000
     43      11.0116      0.00000
     44      11.1466      0.00000

 k-point     4 :       0.4286    0.0833    0.0500
  band No.  band energies     occupation 
      1       1.1304      2.00000
      2       1.2709      2.00000
      3       1.6897      2.00000
      4       1.8358      2.00000
      5       1.9344      2.00000
      6       2.0841      2.00000
      7       3.0504      2.00000
      8       3.1549      2.00000
      9       3.2896      2.00000
     10       3.3889      2.00000
     11       3.4319      2.00000
     12       3.4524      2.00000
     13       3.5030      2.00000
     14       3.5164      2.00000
     15       3.6430      2.00000
     16       3.6472      2.00000
     17       3.7089      2.00000
     18       3.7647      2.00001
     19       3.9155      2.00063
     20       4.1148      2.03065
     21       5.3550     -0.00000
     22       5.4779     -0.00000
     23       5.6254     -0.00000
     24       5.6532     -0.00000
     25       5.7620     -0.00000
     26       5.7635     -0.00000
     27       6.9602     -0.00000
     28       7.1205     -0.00000
     29       7.1518     -0.00000
     30       7.1611     -0.00000
     31       7.6154     -0.00000
     32       7.8537     -0.00000
     33       8.1294     -0.00000
     34       8.2052     -0.00000
     35       8.8769     -0.00000
     36       8.9431     -0.00000
     37       9.0995     -0.00000
     38       9.1796     -0.00000
     39       9.8034     -0.00000
     40       9.8763     -0.00000
     41      10.4320      0.00000
     42      10.5270      0.00000
     43      11.2335      0.00000
     44      11.3491      0.00000

 k-point     5 :       0.0000    0.2500    0.0500
  band No.  band energies     occupation 
      1       0.9937      2.00000
      2       1.3153      2.00000
      3       2.0246      2.00000
      4       2.0252      2.00000
      5       2.0684      2.00000
      6       2.3330      2.00000
      7       2.4246      2.00000
      8       2.9384      2.00000
      9       3.0194      2.00000
     10       3.0502      2.00000
     11       3.1364      2.00000
     12       3.2016      2.00000
     13       3.4044      2.00000
     14       3.4949      2.00000
     15       3.5146      2.00000
     16       3.6976      2.00000
     17       3.7550      2.00001
     18       4.0130      2.00570
     19       4.0378      2.00915
     20       4.2346      2.07021
     21       5.6638     -0.00000
     22       5.7918     -0.00000
     23       5.9736     -0.00000
     24       6.1994     -0.00000
     25       6.3221     -0.00000
     26       6.4202     -0.00000
     27       6.5131     -0.00000
     28       6.7799     -0.00000
     29       7.2846     -0.00000
     30       7.3161     -0.00000
     31       7.3704     -0.00000
     32       7.6352     -0.00000
     33       8.0126     -0.00000
     34       8.1528     -0.00000
     35       8.8947     -0.00000
     36       9.0397     -0.00000
     37       9.0724     -0.00000
     38       9.2321     -0.00000
     39       9.5124     -0.00000
     40       9.8501     -0.00000
     41       9.9043     -0.00000
     42      10.3771      0.00000
     43      10.4880      0.00000
     44      10.9126      0.00000

 k-point     6 :       0.1429    0.2500    0.0500
  band No.  band energies     occupation 
      1       1.0121      2.00000
      2       1.3347      2.00000
      3       1.7411      2.00000
      4       2.0373      2.00000
      5       2.0877      2.00000
      6       2.4141      2.00000
      7       2.7227      2.00000
      8       2.8110      2.00000
      9       2.9720      2.00000
     10       3.0470      2.00000
     11       3.2180      2.00000
     12       3.3475      2.00000
     13       3.3987      2.00000
     14       3.5042      2.00000
     15       3.5364      2.00000
     16       3.7009      2.00000
     17       3.7059      2.00000
     18       3.8318      2.00006
     19       4.1153      2.03085
     20       4.2766      2.04306
     21       5.5468     -0.00000
     22       5.7217     -0.00000
     23       5.9380     -0.00000
     24       6.0494     -0.00000
     25       6.2399     -0.00000
     26       6.4785     -0.00000
     27       6.6318     -0.00000
     28       6.7178     -0.00000
     29       7.1576     -0.00000
     30       7.3081     -0.00000
     31       7.3291     -0.00000
     32       7.6106     -0.00000
     33       8.2497     -0.00000
     34       8.3318     -0.00000
     35       8.8910     -0.00000
     36       8.9996     -0.00000
     37       9.0213     -0.00000
     38       9.2313     -0.00000
     39       9.6058     -0.00000
     40       9.8092     -0.00000
     41       9.9156     -0.00000
     42      10.4371      0.00000
     43      10.5062      0.00000
     44      11.0262      0.00000

 k-point     7 :       0.2857    0.2500    0.0500
  band No.  band energies     occupation 
      1       1.0683      2.00000
      2       1.3937      2.00000
      3       1.4961      2.00000
      4       1.8316      2.00000
      5       2.1156      2.00000
      6       2.5744      2.00000
      7       2.8356      2.00000
      8       2.9901      2.00000
      9       3.1308      2.00000
     10       3.1310      2.00000
     11       3.2658      2.00000
     12       3.3046      2.00000
     13       3.4753      2.00000
     14       3.5355      2.00000
     15       3.6155      2.00000
     16       3.6212      2.00000
     17       3.6790      2.00000
     18       3.7271      2.00000
     19       4.0524      2.01185
     20       4.2293      2.07079
     21       5.3898     -0.00000
     22       5.6569     -0.00000
     23       5.7546     -0.00000
     24       5.8279     -0.00000
     25       6.1153     -0.00000
     26       6.1856     -0.00000
     27       6.6070     -0.00000
     28       7.0689     -0.00000
     29       7.1119     -0.00000
     30       7.3582     -0.00000
     31       7.4861     -0.00000
     32       7.5506     -0.00000
     33       8.3398     -0.00000
     34       8.5003     -0.00000
     35       8.7864     -0.00000
     36       8.8814     -0.00000
     37       9.0417     -0.00000
     38       9.1596     -0.00000
     39       9.6301     -0.00000
     40       9.7951     -0.00000
     41      10.1241      0.00000
     42      10.5541      0.00000
     43      10.7062      0.00000
     44      11.2228      0.00000

 k-point     8 :       0.4286    0.2500    0.0500
  band No.  band energies     occupation 
      1       1.1649      2.00000
      2       1.3058      2.00000
      3       1.4942      2.00000
      4       1.6392      2.00000
      5       2.2243      2.00000
      6       2.3776      2.00000
      7       3.0866      2.00000
      8       3.1951      2.00000
      9       3.2158      2.00000
     10       3.3112      2.00000
     11       3.3705      2.00000
     12       3.4125      2.00000
     13       3.4321      2.00000
     14       3.4427      2.00000
     15       3.5527      2.00000
     16       3.6263      2.00000
     17       3.7463      2.00000
     18       3.7656      2.00001
     19       3.8475      2.00010
     20       4.0089      2.00526
     21       5.4144     -0.00000
     22       5.5971     -0.00000
     23       5.6073     -0.00000
     24       5.7759     -0.00000
     25       5.7932     -0.00000
     26       5.9741     -0.00000
     27       6.7791     -0.00000
     28       6.9531     -0.00000
     29       7.3323     -0.00000
     30       7.4405     -0.00000
     31       7.7205     -0.00000
     32       7.7945     -0.00000
     33       8.1381     -0.00000
     34       8.1793     -0.00000
     35       8.8329     -0.00000
     36       8.8852     -0.00000
     37       8.9637     -0.00000
     38       9.0533     -0.00000
     39       9.6138     -0.00000
     40       9.7775     -0.00000
     41      10.4039      0.00000
     42      10.5786      0.00000
     43      11.1451      0.00000
     44      11.3634      0.00000

 k-point     9 :       0.0000    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.0623      2.00000
      2       1.1684      2.00000
      3       2.0905      2.00000
      4       2.1423      2.00000
      5       2.1921      2.00000
      6       2.2402      2.00000
      7       2.3775      2.00000
      8       2.7040      2.00000
      9       3.0141      2.00000
     10       3.1059      2.00000
     11       3.3395      2.00000
     12       3.4367      2.00000
     13       3.4372      2.00000
     14       3.4810      2.00000
     15       3.5977      2.00000
     16       3.6020      2.00000
     17       3.7422      2.00000
     18       3.7840      2.00001
     19       3.8337      2.00006
     20       4.0233      2.00698
     21       5.9136     -0.00000
     22       5.9250     -0.00000
     23       6.0712     -0.00000
     24       6.1466     -0.00000
     25       6.1950     -0.00000
     26       6.4238     -0.00000
     27       6.6392     -0.00000
     28       6.9191     -0.00000
     29       6.9903     -0.00000
     30       7.2386     -0.00000
     31       7.5941     -0.00000
     32       7.8508     -0.00000
     33       8.1766     -0.00000
     34       8.3695     -0.00000
     35       8.5122     -0.00000
     36       9.0201     -0.00000
     37       9.0840     -0.00000
     38       9.1579     -0.00000
     39       9.3042     -0.00000
     40       9.5879     -0.00000
     41       9.9242     -0.00000
     42      10.0369      0.00000
     43      10.7384      0.00000
     44      10.9125      0.00000

 k-point    10 :       0.1429    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.0810      2.00000
      2       1.1874      2.00000
      3       1.8126      2.00000
      4       1.9226      2.00000
      5       2.3686      2.00000
      6       2.4748      2.00000
      7       2.5961      2.00000
      8       2.7340      2.00000
      9       3.0332      2.00000
     10       3.1243      2.00000
     11       3.1424      2.00000
     12       3.4397      2.00000
     13       3.4864      2.00000
     14       3.4946      2.00000
     15       3.5003      2.00000
     16       3.6155      2.00000
     17       3.6896      2.00000
     18       3.8415      2.00008
     19       3.9174      2.00066
     20       4.0490      2.01119
     21       5.7404     -0.00000
     22       5.9111     -0.00000
     23       5.9454     -0.00000
     24       6.1169     -0.00000
     25       6.2300     -0.00000
     26       6.3634     -0.00000
     27       6.5687     -0.00000
     28       6.9112     -0.00000
     29       6.9938     -0.00000
     30       7.2021     -0.00000
     31       7.6243     -0.00000
     32       7.9826     -0.00000
     33       8.1771     -0.00000
     34       8.4806     -0.00000
     35       8.5593     -0.00000
     36       8.9919     -0.00000
     37       9.0237     -0.00000
     38       9.2586     -0.00000
     39       9.2682     -0.00000
     40       9.5524     -0.00000
     41       9.9850      0.00000
     42      10.1052      0.00000
     43      10.7544      0.00000
     44      10.9613      0.00000

 k-point    11 :       0.2857    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.1378      2.00000
      2       1.2451      2.00000
      3       1.5680      2.00000
      4       1.6788      2.00000
      5       2.4413      2.00000
      6       2.7717      2.00000
      7       2.9104      2.00000
      8       2.9254      2.00000
      9       2.9764      2.00000
     10       3.1063      2.00000
     11       3.1785      2.00000
     12       3.2733      2.00000
     13       3.3751      2.00000
     14       3.4607      2.00000
     15       3.5327      2.00000
     16       3.6047      2.00000
     17       3.7446      2.00000
     18       3.8958      2.00037
     19       3.8969      2.00039
     20       4.0719      2.01641
     21       5.5162     -0.00000
     22       5.6414     -0.00000
     23       5.8816     -0.00000
     24       6.0487     -0.00000
     25       6.0661     -0.00000
     26       6.3458     -0.00000
     27       6.4324     -0.00000
     28       6.7732     -0.00000
     29       7.2561     -0.00000
     30       7.3841     -0.00000
     31       7.7225     -0.00000
     32       8.0567     -0.00000
     33       8.0924     -0.00000
     34       8.4827     -0.00000
     35       8.5835     -0.00000
     36       8.8649     -0.00000
     37       8.9611     -0.00000
     38       9.2828     -0.00000
     39       9.2943     -0.00000
     40       9.5604     -0.00000
     41      10.2051      0.00000
     42      10.3905      0.00000
     43      10.7529      0.00000
     44      11.0117      0.00000

 k-point    12 :       0.4286    0.4167    0.0500
  band No.  band energies     occupation 
      1       1.2352      2.00000
      2       1.3439      2.00000
      3       1.3770      2.00000
      4       1.4870      2.00000
      5       2.5559      2.00000
      6       2.7135      2.00000
      7       2.9077      2.00000
      8       3.0722      2.00000
      9       3.1532      2.00000
     10       3.2377      2.00000
     11       3.2681      2.00000
     12       3.3576      2.00000
     13       3.3768      2.00000
     14       3.4097      2.00000
     15       3.6080      2.00000
     16       3.6806      2.00000
     17       3.6823      2.00000
     18       3.7700      2.00001
     19       3.8202      2.00004
     20       3.8925      2.00034
     21       5.4997     -0.00000
     22       5.5576     -0.00000
     23       5.6833     -0.00000
     24       5.7537     -0.00000
     25       6.1304     -0.00000
     26       6.2827     -0.00000
     27       6.4784     -0.00000
     28       6.6348     -0.00000
     29       7.5598     -0.00000
     30       7.6956     -0.00000
     31       7.7990     -0.00000
     32       8.0112     -0.00000
     33       8.0188     -0.00000
     34       8.3180     -0.00000
     35       8.4312     -0.00000
     36       8.6252     -0.00000
     37       9.0315     -0.00000
     38       9.2616     -0.00000
     39       9.3240     -0.00000
     40       9.5421     -0.00000
     41      10.4957      0.00000
     42      10.6805      0.00000
     43      10.7537      0.00000
     44      10.9556      0.00000

 k-point    13 :       0.0000    0.0833    0.1500
  band No.  band energies     occupation 
      1       0.9993      2.00000
      2       1.5534      2.00000
      3       1.7938      2.00000
      4       2.0343      2.00000
      5       2.0742      2.00000
      6       2.4856      2.00000
      7       2.5768      2.00000
      8       2.6593      2.00000
      9       2.8058      2.00000
     10       2.9018      2.00000
     11       3.0746      2.00000
     12       3.2945      2.00000
     13       3.3067      2.00000
     14       3.3435      2.00000
     15       3.4501      2.00000
     16       3.7628      2.00001
     17       3.8630      2.00015
     18       4.0033      2.00470
     19       4.0455      2.01051
     20       4.1736      2.05678
     21       5.7473     -0.00000
     22       5.9377     -0.00000
     23       6.1856     -0.00000
     24       6.4615     -0.00000
     25       6.5024     -0.00000
     26       6.5604     -0.00000
     27       6.6003     -0.00000
     28       6.7487     -0.00000
     29       7.1552     -0.00000
     30       7.2658     -0.00000
     31       7.3680     -0.00000
     32       7.3725     -0.00000
     33       8.1378     -0.00000
     34       8.4593     -0.00000
     35       8.9344     -0.00000
     36       9.0424     -0.00000
     37       9.0502     -0.00000
     38       9.5781     -0.00000
     39       9.7939     -0.00000
     40       9.8019     -0.00000
     41       9.9937      0.00000
     42      10.0073      0.00000
     43      10.4088      0.00000
     44      10.4530      0.00000

 k-point    14 :       0.1429    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.0177      2.00000
      2       1.5734      2.00000
      3       1.7477      2.00000
      4       1.8143      2.00000
      5       2.3143      2.00000
      6       2.4234      2.00000
      7       2.5190      2.00000
      8       2.5681      2.00000
      9       2.9442      2.00000
     10       3.0908      2.00000
     11       3.1400      2.00000
     12       3.1919      2.00000
     13       3.3132      2.00000
     14       3.3778      2.00000
     15       3.5881      2.00000
     16       3.6572      2.00000
     17       3.8756      2.00022
     18       3.9620      2.00192
     19       4.0849      2.02010
     20       4.1562      2.04887
     21       5.6894     -0.00000
     22       5.7932     -0.00000
     23       6.1211     -0.00000
     24       6.3355     -0.00000
     25       6.3870     -0.00000
     26       6.4757     -0.00000
     27       6.7160     -0.00000
     28       6.7621     -0.00000
     29       7.1553     -0.00000
     30       7.2230     -0.00000
     31       7.2691     -0.00000
     32       7.4435     -0.00000
     33       8.2960     -0.00000
     34       8.5304     -0.00000
     35       8.9158     -0.00000
     36       9.0188     -0.00000
     37       9.0632     -0.00000
     38       9.5897     -0.00000
     39       9.7993     -0.00000
     40       9.8814     -0.00000
     41       9.8949     -0.00000
     42      10.0912      0.00000
     43      10.6396      0.00000
     44      10.7157      0.00000

 k-point    15 :       0.2857    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.0739      2.00000
      2       1.5021      2.00000
      3       1.6339      2.00000
      4       1.8762      2.00000
      5       2.0761      2.00000
      6       2.3243      2.00000
      7       2.5802      2.00000
      8       2.8503      2.00000
      9       2.9702      2.00000
     10       3.1392      2.00000
     11       3.2809      2.00000
     12       3.3637      2.00000
     13       3.4528      2.00000
     14       3.4721      2.00000
     15       3.5342      2.00000
     16       3.7434      2.00000
     17       3.8120      2.00003
     18       3.9061      2.00049
     19       4.0070      2.00506
     20       4.1127      2.02983
     21       5.4491     -0.00000
     22       5.7647     -0.00000
     23       5.9775     -0.00000
     24       5.9933     -0.00000
     25       6.1169     -0.00000
     26       6.2928     -0.00000
     27       6.7011     -0.00000
     28       7.0343     -0.00000
     29       7.0457     -0.00000
     30       7.1650     -0.00000
     31       7.3112     -0.00000
     32       7.6850     -0.00000
     33       8.3437     -0.00000
     34       8.4223     -0.00000
     35       8.9410     -0.00000
     36       9.0461     -0.00000
     37       9.0854     -0.00000
     38       9.4825     -0.00000
     39       9.8803     -0.00000
     40      10.0833      0.00000
     41      10.1023      0.00000
     42      10.2995      0.00000
     43      10.9781      0.00000
     44      11.1158      0.00000

 k-point    16 :       0.4286    0.0833    0.1500
  band No.  band energies     occupation 
      1       1.1704      2.00000
      2       1.3115      2.00000
      3       1.7363      2.00000
      4       1.8822      2.00000
      5       1.9821      2.00000
      6       2.1302      2.00000
      7       2.6756      2.00000
      8       2.8073      2.00000
      9       3.2079      2.00000
     10       3.3054      2.00000
     11       3.3383      2.00000
     12       3.5069      2.00000
     13       3.5515      2.00000
     14       3.6341      2.00000
     15       3.6343      2.00000
     16       3.6504      2.00000
     17       3.7907      2.00002
     18       3.8627      2.00015
     19       3.8715      2.00019
     20       3.9229      2.00075
     21       5.4354     -0.00000
     22       5.6586     -0.00000
     23       5.7212     -0.00000
     24       5.7833     -0.00000
     25       5.9830     -0.00000
     26       6.1832     -0.00000
     27       6.7341     -0.00000
     28       6.8681     -0.00000
     29       7.1483     -0.00000
     30       7.1980     -0.00000
     31       7.6121     -0.00000
     32       7.9461     -0.00000
     33       8.0278     -0.00000
     34       8.1852     -0.00000
     35       9.0736     -0.00000
     36       9.1334     -0.00000
     37       9.1801     -0.00000
     38       9.3390     -0.00000
     39       9.9044     -0.00000
     40      10.0804      0.00000
     41      10.3492      0.00000
     42      10.4487      0.00000
     43      11.2277      0.00000
     44      11.3308      0.00000

 k-point    17 :       0.0000    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.0335      2.00000
      2       1.3599      2.00000
      3       2.0666      2.00000
      4       2.0783      2.00000
      5       2.1116      2.00000
      6       2.3727      2.00000
      7       2.4686      2.00000
      8       2.5523      2.00000
      9       2.9069      2.00000
     10       3.0614      2.00000
     11       3.0857      2.00000
     12       3.1628      2.00000
     13       3.3553      2.00000
     14       3.5086      2.00000
     15       3.5149      2.00000
     16       3.6695      2.00000
     17       3.8514      2.00011
     18       3.8779      2.00023
     19       3.9374      2.00108
     20       4.0455      2.01050
     21       5.8309     -0.00000
     22       6.0164     -0.00000
     23       6.0393     -0.00000
     24       6.3304     -0.00000
     25       6.4771     -0.00000
     26       6.5973     -0.00000
     27       6.6769     -0.00000
     28       6.7940     -0.00000
     29       7.3423     -0.00000
     30       7.3886     -0.00000
     31       7.4737     -0.00000
     32       7.6354     -0.00000
     33       8.1666     -0.00000
     34       8.3021     -0.00000
     35       8.7369     -0.00000
     36       8.9293     -0.00000
     37       9.2084     -0.00000
     38       9.4300     -0.00000
     39       9.6043     -0.00000
     40       9.7060     -0.00000
     41       9.8106     -0.00000
     42      10.3233      0.00000
     43      10.3665      0.00000
     44      10.9190      0.00000

 k-point    18 :       0.1429    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.0520      2.00000
      2       1.3794      2.00000
      3       1.7832      2.00000
      4       2.0893      2.00000
      5       2.1327      2.00000
      6       2.4557      2.00000
      7       2.5625      2.00000
      8       2.7766      2.00000
      9       2.8457      2.00000
     10       2.9259      2.00000
     11       3.1125      2.00000
     12       3.2029      2.00000
     13       3.3989      2.00000
     14       3.4997      2.00000
     15       3.5907      2.00000
     16       3.6464      2.00000
     17       3.7964      2.00002
     18       3.8674      2.00017
     19       3.9758      2.00262
     20       4.0988      2.02466
     21       5.7244     -0.00000
     22       5.9520     -0.00000
     23       5.9698     -0.00000
     24       6.2213     -0.00000
     25       6.2989     -0.00000
     26       6.5838     -0.00000
     27       6.6470     -0.00000
     28       6.9092     -0.00000
     29       7.2274     -0.00000
     30       7.3778     -0.00000
     31       7.4993     -0.00000
     32       7.6250     -0.00000
     33       8.3434     -0.00000
     34       8.3534     -0.00000
     35       8.8280     -0.00000
     36       8.9038     -0.00000
     37       9.1890     -0.00000
     38       9.3955     -0.00000
     39       9.6076     -0.00000
     40       9.7283     -0.00000
     41       9.8865     -0.00000
     42      10.3937      0.00000
     43      10.5308      0.00000
     44      10.9498      0.00000

 k-point    19 :       0.2857    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.1085      2.00000
      2       1.4384      2.00000
      3       1.5378      2.00000
      4       1.8763      2.00000
      5       2.1670      2.00000
      6       2.6091      2.00000
      7       2.6283      2.00000
      8       2.8734      2.00000
      9       2.9830      2.00000
     10       3.0185      2.00000
     11       3.1514      2.00000
     12       3.1919      2.00000
     13       3.3641      2.00000
     14       3.6061      2.00000
     15       3.6166      2.00000
     16       3.6481      2.00000
     17       3.7927      2.00002
     18       3.9080      2.00052
     19       3.9466      2.00134
     20       4.1069      2.02758
     21       5.4713     -0.00000
     22       5.8342     -0.00000
     23       5.9013     -0.00000
     24       5.9594     -0.00000
     25       6.0215     -0.00000
     26       6.5239     -0.00000
     27       6.5276     -0.00000
     28       7.0099     -0.00000
     29       7.1678     -0.00000
     30       7.4104     -0.00000
     31       7.6251     -0.00000
     32       7.6745     -0.00000
     33       8.3200     -0.00000
     34       8.4362     -0.00000
     35       8.8551     -0.00000
     36       8.8997     -0.00000
     37       9.2598     -0.00000
     38       9.2874     -0.00000
     39       9.6407     -0.00000
     40       9.9838      0.00000
     41      10.0726      0.00000
     42      10.5122      0.00000
     43      10.7624      0.00000
     44      11.1241      0.00000

 k-point    20 :       0.4286    0.2500    0.1500
  band No.  band energies     occupation 
      1       1.2054      2.00000
      2       1.3469      2.00000
      3       1.5390      2.00000
      4       1.6839      2.00000
      5       2.2733      2.00000
      6       2.4228      2.00000
      7       2.7195      2.00000
      8       2.8548      2.00000
      9       3.0702      2.00000
     10       3.1930      2.00000
     11       3.2790      2.00000
     12       3.3864      2.00000
     13       3.4554      2.00000
     14       3.4976      2.00000
     15       3.6799      2.00000
     16       3.7091      2.00000
     17       3.7865      2.00001
     18       3.8827      2.00026
     19       3.9262      2.00082
     20       3.9291      2.00088
     21       5.4061     -0.00000
     22       5.6763     -0.00000
     23       5.6818     -0.00000
     24       5.7597     -0.00000
     25       6.0472     -0.00000
     26       6.3744     -0.00000
     27       6.5916     -0.00000
     28       6.7747     -0.00000
     29       7.3021     -0.00000
     30       7.4611     -0.00000
     31       7.8085     -0.00000
     32       7.8949     -0.00000
     33       8.1577     -0.00000
     34       8.1723     -0.00000
     35       8.9531     -0.00000
     36       9.0165     -0.00000
     37       9.1638     -0.00000
     38       9.3267     -0.00000
     39       9.6186     -0.00000
     40      10.0517      0.00000
     41      10.3118      0.00000
     42      10.4977      0.00000
     43      11.1137      0.00000
     44      11.2431      0.00000

 k-point    21 :       0.0000    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.1032      2.00000
      2       1.2110      2.00000
      3       2.1325      2.00000
      4       2.1864      2.00000
      5       2.2344      2.00000
      6       2.2878      2.00000
      7       2.4311      2.00000
      8       2.6319      2.00000
      9       2.7526      2.00000
     10       2.7650      2.00000
     11       3.3223      2.00000
     12       3.4361      2.00000
     13       3.4663      2.00000
     14       3.4995      2.00000
     15       3.6377      2.00000
     16       3.6450      2.00000
     17       3.6820      2.00000
     18       3.7728      2.00001
     19       3.8129      2.00003
     20       3.8387      2.00008
     21       5.9373     -0.00000
     22       6.0744     -0.00000
     23       6.0821     -0.00000
     24       6.1878     -0.00000
     25       6.3423     -0.00000
     26       6.3441     -0.00000
     27       6.9612     -0.00000
     28       7.1353     -0.00000
     29       7.2182     -0.00000
     30       7.4000     -0.00000
     31       7.7191     -0.00000
     32       8.0386     -0.00000
     33       8.0950     -0.00000
     34       8.3638     -0.00000
     35       8.4333     -0.00000
     36       9.0128     -0.00000
     37       9.1279     -0.00000
     38       9.1964     -0.00000
     39       9.3990     -0.00000
     40       9.5534     -0.00000
     41       9.9118     -0.00000
     42      10.0500      0.00000
     43      10.7207      0.00000
     44      10.9132      0.00000

 k-point    22 :       0.1429    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.1220      2.00000
      2       1.2300      2.00000
      3       1.8555      2.00000
      4       1.9663      2.00000
      5       2.4247      2.00000
      6       2.5176      2.00000
      7       2.6202      2.00000
      8       2.6716      2.00000
      9       2.7678      2.00000
     10       2.7989      2.00000
     11       3.1516      2.00000
     12       3.3038      2.00000
     13       3.3881      2.00000
     14       3.5128      2.00000
     15       3.6152      2.00000
     16       3.7010      2.00000
     17       3.7509      2.00000
     18       3.8244      2.00005
     19       3.8511      2.00011
     20       3.9619      2.00192
     21       5.8714     -0.00000
     22       5.9541     -0.00000
     23       6.0177     -0.00000
     24       6.1277     -0.00000
     25       6.1333     -0.00000
     26       6.3429     -0.00000
     27       6.9266     -0.00000
     28       7.1495     -0.00000
     29       7.1941     -0.00000
     30       7.4169     -0.00000
     31       7.7009     -0.00000
     32       8.0451     -0.00000
     33       8.1392     -0.00000
     34       8.5073     -0.00000
     35       8.5633     -0.00000
     36       8.9811     -0.00000
     37       9.0916     -0.00000
     38       9.1960     -0.00000
     39       9.4051     -0.00000
     40       9.5913     -0.00000
     41       9.9877      0.00000
     42      10.1619      0.00000
     43      10.7256      0.00000
     44      10.9394      0.00000

 k-point    23 :       0.2857    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.1790      2.00000
      2       1.2879      2.00000
      3       1.6105      2.00000
      4       1.7224      2.00000
      5       2.4947      2.00000
      6       2.7067      2.00000
      7       2.8176      2.00000
      8       2.8342      2.00000
      9       2.9397      2.00000
     10       2.9769      2.00000
     11       3.0404      2.00000
     12       3.1153      2.00000
     13       3.2121      2.00000
     14       3.3183      2.00000
     15       3.7445      2.00000
     16       3.7498      2.00000
     17       3.8364      2.00007
     18       3.8787      2.00024
     19       3.9429      2.00123
     20       4.0362      2.00888
     21       5.6056     -0.00000
     22       5.7772     -0.00000
     23       5.7968     -0.00000
     24       5.8720     -0.00000
     25       6.1307     -0.00000
     26       6.3167     -0.00000
     27       6.7556     -0.00000
     28       6.9264     -0.00000
     29       7.3826     -0.00000
     30       7.5738     -0.00000
     31       7.7666     -0.00000
     32       8.0954     -0.00000
     33       8.0983     -0.00000
     34       8.5250     -0.00000
     35       8.6777     -0.00000
     36       8.9518     -0.00000
     37       9.0214     -0.00000
     38       9.2231     -0.00000
     39       9.5083     -0.00000
     40       9.7687     -0.00000
     41      10.1696      0.00000
     42      10.4074      0.00000
     43      10.7083      0.00000
     44      10.9896      0.00000

 k-point    24 :       0.4286    0.4167    0.1500
  band No.  band energies     occupation 
      1       1.2768      2.00000
      2       1.3869      2.00000
      3       1.4191      2.00000
      4       1.5304      2.00000
      5       2.6042      2.00000
      6       2.7513      2.00000
      7       2.8079      2.00000
      8       2.9141      2.00000
      9       2.9495      2.00000
     10       2.9625      2.00000
     11       3.0547      2.00000
     12       3.1380      2.00000
     13       3.3957      2.00000
     14       3.4412      2.00000
     15       3.7239      2.00000
     16       3.7498      2.00000
     17       3.8370      2.00007
     18       3.8836      2.00027
     19       3.9419      2.00120
     20       3.9549      2.00163
     21       5.4812     -0.00000
     22       5.6015     -0.00000
     23       5.6503     -0.00000
     24       5.6860     -0.00000
     25       6.2442     -0.00000
     26       6.4201     -0.00000
     27       6.5242     -0.00000
     28       6.6475     -0.00000
     29       7.5409     -0.00000
     30       7.7577     -0.00000
     31       7.7915     -0.00000
     32       8.0404     -0.00000
     33       8.1945     -0.00000
     34       8.4657     -0.00000
     35       8.6197     -0.00000
     36       8.8483     -0.00000
     37       9.0595     -0.00000
     38       9.2715     -0.00000
     39       9.5453     -0.00000
     40       9.8264     -0.00000
     41      10.4201      0.00000
     42      10.6157      0.00000
     43      10.7159      0.00000
     44      10.9380      0.00000

 k-point    25 :       0.0000    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.0784      2.00000
      2       1.6479      2.00000
      3       1.8938      2.00000
      4       2.1163      2.00000
      5       2.1424      2.00000
      6       2.1587      2.00000
      7       2.6411      2.00000
      8       2.7447      2.00000
      9       2.7892      2.00000
     10       2.8568      2.00000
     11       2.9708      2.00000
     12       3.0650      2.00000
     13       3.1401      2.00000
     14       3.1908      2.00000
     15       3.4279      2.00000
     16       3.6176      2.00000
     17       3.7417      2.00000
     18       3.8188      2.00004
     19       3.8912      2.00033
     20       4.2491      2.06582
     21       6.0859     -0.00000
     22       6.1893     -0.00000
     23       6.2405     -0.00000
     24       6.6225     -0.00000
     25       6.9023     -0.00000
     26       6.9898     -0.00000
     27       7.0139     -0.00000
     28       7.0728     -0.00000
     29       7.2644     -0.00000
     30       7.3207     -0.00000
     31       7.3340     -0.00000
     32       7.3795     -0.00000
     33       8.1422     -0.00000
     34       8.5773     -0.00000
     35       8.6042     -0.00000
     36       9.1266     -0.00000
     37       9.2515     -0.00000
     38       9.5530     -0.00000
     39       9.6471     -0.00000
     40       9.6946     -0.00000
     41       9.8332     -0.00000
     42      10.0674      0.00000
     43      10.2260      0.00000
     44      10.3483      0.00000

 k-point    26 :       0.1429    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.0971      2.00000
      2       1.6678      2.00000
      3       1.8312      2.00000
      4       1.9138      2.00000
      5       2.1627      2.00000
      6       2.4032      2.00000
      7       2.5028      2.00000
      8       2.6376      2.00000
      9       2.8091      2.00000
     10       2.8883      2.00000
     11       3.0236      2.00000
     12       3.0858      2.00000
     13       3.2207      2.00000
     14       3.4220      2.00000
     15       3.4579      2.00000
     16       3.4820      2.00000
     17       3.7204      2.00000
     18       3.9011      2.00043
     19       3.9208      2.00072
     20       4.2517      2.06452
     21       5.9485     -0.00000
     22       6.1154     -0.00000
     23       6.1285     -0.00000
     24       6.5221     -0.00000
     25       6.6553     -0.00000
     26       6.9263     -0.00000
     27       6.9567     -0.00000
     28       7.1010     -0.00000
     29       7.1705     -0.00000
     30       7.2688     -0.00000
     31       7.3614     -0.00000
     32       7.5558     -0.00000
     33       8.2844     -0.00000
     34       8.5389     -0.00000
     35       8.7367     -0.00000
     36       9.0411     -0.00000
     37       9.2395     -0.00000
     38       9.4576     -0.00000
     39       9.7341     -0.00000
     40       9.7791     -0.00000
     41       9.9708      0.00000
     42      10.2332      0.00000
     43      10.4226      0.00000
     44      10.5738      0.00000

 k-point    27 :       0.2857    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.1538      2.00000
      2       1.5850      2.00000
      3       1.7278      2.00000
      4       1.9741      2.00000
      5       2.1648      2.00000
      6       2.2251      2.00000
      7       2.4085      2.00000
      8       2.6608      2.00000
      9       2.8434      2.00000
     10       2.9407      2.00000
     11       3.1404      2.00000
     12       3.2605      2.00000
     13       3.3500      2.00000
     14       3.4985      2.00000
     15       3.5278      2.00000
     16       3.5783      2.00000
     17       3.7478      2.00000
     18       3.8702      2.00019
     19       4.0112      2.00550
     20       4.2422      2.06844
     21       5.5969     -0.00000
     22       5.9679     -0.00000
     23       5.9980     -0.00000
     24       6.2091     -0.00000
     25       6.4287     -0.00000
     26       6.6845     -0.00000
     27       6.8526     -0.00000
     28       6.8721     -0.00000
     29       7.2322     -0.00000
     30       7.2825     -0.00000
     31       7.4886     -0.00000
     32       7.7705     -0.00000
     33       8.2986     -0.00000
     34       8.3105     -0.00000
     35       9.0184     -0.00000
     36       9.0978     -0.00000
     37       9.3152     -0.00000
     38       9.4889     -0.00000
     39       9.8285     -0.00000
     40      10.0042      0.00000
     41      10.2160      0.00000
     42      10.5020      0.00000
     43      10.7191      0.00000
     44      10.9595      0.00000

 k-point    28 :       0.4286    0.0833    0.2500
  band No.  band energies     occupation 
      1       1.2512      2.00000
      2       1.3933      2.00000
      3       1.8293      2.00000
      4       1.9743      2.00000
      5       2.0762      2.00000
      6       2.2196      2.00000
      7       2.3282      2.00000
      8       2.4731      2.00000
      9       2.9433      2.00000
     10       3.0683      2.00000
     11       3.2586      2.00000
     12       3.3596      2.00000
     13       3.4478      2.00000
     14       3.6081      2.00000
     15       3.6461      2.00000
     16       3.6672      2.00000
     17       3.7619      2.00001
     18       3.8425      2.00008
     19       3.9987      2.00427
     20       4.1712      2.05575
     21       5.5192     -0.00000
     22       5.7543     -0.00000
     23       5.8190     -0.00000
     24       5.8883     -0.00000
     25       6.4881     -0.00000
     26       6.5435     -0.00000
     27       6.6099     -0.00000
     28       6.7645     -0.00000
     29       7.2661     -0.00000
     30       7.3134     -0.00000
     31       7.7126     -0.00000
     32       7.9146     -0.00000
     33       8.0510     -0.00000
     34       8.0794     -0.00000
     35       9.2861     -0.00000
     36       9.3355     -0.00000
     37       9.4123     -0.00000
     38       9.5209     -0.00000
     39       9.8989     -0.00000
     40      10.1995      0.00000
     41      10.2736      0.00000
     42      10.3349      0.00000
     43      11.0868      0.00000
     44      11.2483      0.00000

 k-point    29 :       0.0000    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.1138      2.00000
      2       1.4496      2.00000
      3       2.1496      2.00000
      4       2.1846      2.00000
      5       2.1856      2.00000
      6       2.1969      2.00000
      7       2.4643      2.00000
      8       2.5554      2.00000
      9       2.5773      2.00000
     10       3.0507      2.00000
     11       3.1738      2.00000
     12       3.2115      2.00000
     13       3.2350      2.00000
     14       3.2890      2.00000
     15       3.3347      2.00000
     16       3.4947      2.00000
     17       3.6091      2.00000
     18       3.8058      2.00003
     19       3.8619      2.00015
     20       4.1488      2.04546
     21       6.0603     -0.00000
     22       6.1045     -0.00000
     23       6.3041     -0.00000
     24       6.3167     -0.00000
     25       6.8525     -0.00000
     26       6.8613     -0.00000
     27       7.0123     -0.00000
     28       7.3046     -0.00000
     29       7.3361     -0.00000
     30       7.5460     -0.00000
     31       7.6135     -0.00000
     32       7.6389     -0.00000
     33       8.1799     -0.00000
     34       8.3811     -0.00000
     35       8.5733     -0.00000
     36       9.0680     -0.00000
     37       9.3706     -0.00000
     38       9.4038     -0.00000
     39       9.6067     -0.00000
     40       9.6589     -0.00000
     41       9.9169     -0.00000
     42      10.1539      0.00000
     43      10.2138      0.00000
     44      10.6098      0.00000

 k-point    30 :       0.1429    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.1325      2.00000
      2       1.4691      2.00000
      3       1.8677      2.00000
      4       2.1834      2.00000
      5       2.2140      2.00000
      6       2.2250      2.00000
      7       2.5351      2.00000
      8       2.5997      2.00000
      9       2.8504      2.00000
     10       2.8630      2.00000
     11       2.9905      2.00000
     12       3.2206      2.00000
     13       3.2961      2.00000
     14       3.3829      2.00000
     15       3.3870      2.00000
     16       3.5415      2.00000
     17       3.7112      2.00000
     18       3.8169      2.00004
     19       3.8679      2.00018
     20       4.1556      2.04863
     21       5.9211     -0.00000
     22       6.0083     -0.00000
     23       6.1998     -0.00000
     24       6.3274     -0.00000
     25       6.5285     -0.00000
     26       6.7804     -0.00000
     27       7.0141     -0.00000
     28       7.2342     -0.00000
     29       7.3320     -0.00000
     30       7.5584     -0.00000
     31       7.6480     -0.00000
     32       7.6755     -0.00000
     33       8.3698     -0.00000
     34       8.4498     -0.00000
     35       8.6264     -0.00000
     36       9.0312     -0.00000
     37       9.2743     -0.00000
     38       9.3849     -0.00000
     39       9.6686     -0.00000
     40       9.7640     -0.00000
     41      10.0120      0.00000
     42      10.3010      0.00000
     43      10.4117      0.00000
     44      10.6807      0.00000

 k-point    31 :       0.2857    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.1895      2.00000
      2       1.5282      2.00000
      3       1.6216      2.00000
      4       1.9658      2.00000
      5       2.2482      2.00000
      6       2.2886      2.00000
      7       2.6490      2.00000
      8       2.6555      2.00000
      9       2.7539      2.00000
     10       2.9482      2.00000
     11       3.0726      2.00000
     12       3.2231      2.00000
     13       3.3117      2.00000
     14       3.4324      2.00000
     15       3.6116      2.00000
     16       3.6395      2.00000
     17       3.7507      2.00000
     18       3.8015      2.00002
     19       3.9792      2.00282
     20       4.1610      2.05108
     21       5.5680     -0.00000
     22       5.8700     -0.00000
     23       6.0023     -0.00000
     24       6.0677     -0.00000
     25       6.3634     -0.00000
     26       6.5851     -0.00000
     27       6.9462     -0.00000
     28       6.9827     -0.00000
     29       7.3914     -0.00000
     30       7.5305     -0.00000
     31       7.7432     -0.00000
     32       7.8041     -0.00000
     33       8.3208     -0.00000
     34       8.4631     -0.00000
     35       8.8521     -0.00000
     36       9.0990     -0.00000
     37       9.3424     -0.00000
     38       9.4915     -0.00000
     39       9.7123     -0.00000
     40       9.9248     -0.00000
     41      10.2580      0.00000
     42      10.4173      0.00000
     43      10.7248      0.00000
     44      10.9122      0.00000

 k-point    32 :       0.4286    0.2500    0.2500
  band No.  band energies     occupation 
      1       1.2873      2.00000
      2       1.4297      2.00000
      3       1.6288      2.00000
      4       1.7738      2.00000
      5       2.3394      2.00000
      6       2.3992      2.00000
      7       2.4753      2.00000
      8       2.5614      2.00000
      9       2.7535      2.00000
     10       2.8972      2.00000
     11       3.3349      2.00000
     12       3.4236      2.00000
     13       3.5044      2.00000
     14       3.5511      2.00000
     15       3.5585      2.00000
     16       3.6484      2.00000
     17       3.7042      2.00000
     18       3.8662      2.00017
     19       3.9974      2.00416
     20       4.1193      2.03245
     21       5.4465     -0.00000
     22       5.7270     -0.00000
     23       5.7522     -0.00000
     24       5.7667     -0.00000
     25       6.4307     -0.00000
     26       6.5257     -0.00000
     27       6.6605     -0.00000
     28       6.9196     -0.00000
     29       7.4136     -0.00000
     30       7.5472     -0.00000
     31       7.8640     -0.00000
     32       7.9234     -0.00000
     33       8.1151     -0.00000
     34       8.3104     -0.00000
     35       9.1680     -0.00000
     36       9.2644     -0.00000
     37       9.4016     -0.00000
     38       9.6039     -0.00000
     39       9.6727     -0.00000
     40      10.1014      0.00000
     41      10.3695      0.00000
     42      10.3763      0.00000
     43      10.8371      0.00000
     44      11.0398      0.00000

 k-point    33 :       0.0000    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.1857      2.00000
      2       1.2966      2.00000
      3       2.2173      2.00000
      4       2.2706      2.00000
      5       2.2733      2.00000
      6       2.3242      2.00000
      7       2.3801      2.00000
      8       2.4038      2.00000
      9       2.5382      2.00000
     10       2.8831      2.00000
     11       3.1882      2.00000
     12       3.3056      2.00000
     13       3.3205      2.00000
     14       3.4403      2.00000
     15       3.4496      2.00000
     16       3.5115      2.00000
     17       3.6075      2.00000
     18       3.7241      2.00000
     19       3.7265      2.00000
     20       3.9481      2.00139
     21       6.0047     -0.00000
     22       6.0901     -0.00000
     23       6.2643     -0.00000
     24       6.4508     -0.00000
     25       6.5412     -0.00000
     26       6.6525     -0.00000
     27       7.1537     -0.00000
     28       7.2782     -0.00000
     29       7.5445     -0.00000
     30       7.6473     -0.00000
     31       7.9838     -0.00000
     32       8.0533     -0.00000
     33       8.1593     -0.00000
     34       8.4003     -0.00000
     35       8.5034     -0.00000
     36       9.0977     -0.00000
     37       9.1729     -0.00000
     38       9.2301     -0.00000
     39       9.5331     -0.00000
     40       9.6464     -0.00000
     41       9.7761     -0.00000
     42       9.9243     -0.00000
     43      10.6700      0.00000
     44      10.8870      0.00000

 k-point    34 :       0.1429    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.2046      2.00000
      2       1.3158      2.00000
      3       1.9415      2.00000
      4       2.0540      2.00000
      5       2.2931      2.00000
      6       2.4236      2.00000
      7       2.5349      2.00000
      8       2.6024      2.00000
      9       2.7249      2.00000
     10       2.9077      2.00000
     11       2.9939      2.00000
     12       3.1336      2.00000
     13       3.2421      2.00000
     14       3.5075      2.00000
     15       3.5181      2.00000
     16       3.6288      2.00000
     17       3.6892      2.00000
     18       3.7123      2.00000
     19       3.8287      2.00006
     20       3.9632      2.00197
     21       5.9503     -0.00000
     22       5.9968     -0.00000
     23       6.0813     -0.00000
     24       6.2848     -0.00000
     25       6.4398     -0.00000
     26       6.6001     -0.00000
     27       7.1268     -0.00000
     28       7.2192     -0.00000
     29       7.5444     -0.00000
     30       7.6722     -0.00000
     31       7.9443     -0.00000
     32       8.1149     -0.00000
     33       8.2290     -0.00000
     34       8.4507     -0.00000
     35       8.6719     -0.00000
     36       9.0649     -0.00000
     37       9.1288     -0.00000
     38       9.2726     -0.00000
     39       9.5631     -0.00000
     40       9.7377     -0.00000
     41       9.8764     -0.00000
     42      10.0790      0.00000
     43      10.6570      0.00000
     44      10.8606      0.00000

 k-point    35 :       0.2857    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.2621      2.00000
      2       1.3740      2.00000
      3       1.6960      2.00000
      4       1.8100      2.00000
      5       2.3522      2.00000
      6       2.4838      2.00000
      7       2.6025      2.00000
      8       2.7783      2.00000
      9       2.8899      2.00000
     10       2.9523      2.00000
     11       3.0365      2.00000
     12       3.0561      2.00000
     13       3.1153      2.00000
     14       3.3604      2.00000
     15       3.7078      2.00000
     16       3.7112      2.00000
     17       3.7798      2.00001
     18       3.8581      2.00013
     19       3.9343      2.00100
     20       3.9996      2.00435
     21       5.6461     -0.00000
     22       5.7893     -0.00000
     23       5.8730     -0.00000
     24       5.8825     -0.00000
     25       6.4385     -0.00000
     26       6.5078     -0.00000
     27       6.9973     -0.00000
     28       7.0058     -0.00000
     29       7.6042     -0.00000
     30       7.7667     -0.00000
     31       7.9328     -0.00000
     32       8.1496     -0.00000
     33       8.2209     -0.00000
     34       8.5535     -0.00000
     35       8.7909     -0.00000
     36       9.1508     -0.00000
     37       9.1615     -0.00000
     38       9.3506     -0.00000
     39       9.7317     -0.00000
     40       9.9622      0.00000
     41      10.0239      0.00000
     42      10.3413      0.00000
     43      10.6088      0.00000
     44      10.9116      0.00000

 k-point    36 :       0.4286    0.4167    0.2500
  band No.  band energies     occupation 
      1       1.3606      2.00000
      2       1.4735      2.00000
      3       1.5038      2.00000
      4       1.6176      2.00000
      5       2.4510      2.00000
      6       2.5835      2.00000
      7       2.5887      2.00000
      8       2.7184      2.00000
      9       2.7274      2.00000
     10       2.8622      2.00000
     11       3.0655      2.00000
     12       3.2049      2.00000
     13       3.4407      2.00000
     14       3.4913      2.00000
     15       3.7203      2.00000
     16       3.7297      2.00000
     17       3.7777      2.00001
     18       3.9238      2.00077
     19       3.9487      2.00141
     20       4.0170      2.00617
     21       5.4565     -0.00000
     22       5.5790     -0.00000
     23       5.6637     -0.00000
     24       5.6815     -0.00000
     25       6.4768     -0.00000
     26       6.5151     -0.00000
     27       6.7498     -0.00000
     28       6.8661     -0.00000
     29       7.6625     -0.00000
     30       7.8569     -0.00000
     31       7.8712     -0.00000
     32       8.0701     -0.00000
     33       8.2973     -0.00000
     34       8.6716     -0.00000
     35       8.8256     -0.00000
     36       9.0707     -0.00000
     37       9.3185     -0.00000
     38       9.4379     -0.00000
     39       9.8205     -0.00000
     40      10.0783      0.00000
     41      10.2402      0.00000
     42      10.4830      0.00000
     43      10.6208      0.00000
     44      10.8414      0.00000

 k-point    37 :       0.0000    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.1991      2.00000
      2       1.7896      2.00000
      3       1.8330      2.00000
      4       2.0425      2.00000
      5       2.2367      2.00000
      6       2.2821      2.00000
      7       2.4951      2.00000
      8       2.7369      2.00000
      9       2.7694      2.00000
     10       2.8507      2.00000
     11       2.8549      2.00000
     12       2.9072      2.00000
     13       3.0733      2.00000
     14       3.1024      2.00000
     15       3.4169      2.00000
     16       3.4270      2.00000
     17       3.6013      2.00000
     18       3.6176      2.00000
     19       3.6812      2.00000
     20       4.3747      1.71501
     21       6.1184     -0.00000
     22       6.4566     -0.00000
     23       6.4976     -0.00000
     24       7.0646     -0.00000
     25       7.1543     -0.00000
     26       7.2075     -0.00000
     27       7.2384     -0.00000
     28       7.3089     -0.00000
     29       7.4220     -0.00000
     30       7.5501     -0.00000
     31       7.5782     -0.00000
     32       7.8798     -0.00000
     33       8.1290     -0.00000
     34       8.1961     -0.00000
     35       8.5808     -0.00000
     36       9.1898     -0.00000
     37       9.3543     -0.00000
     38       9.3673     -0.00000
     39       9.4801     -0.00000
     40       9.4984     -0.00000
     41       9.6609     -0.00000
     42       9.7401     -0.00000
     43      10.0218      0.00000
     44      10.6905      0.00000

 k-point    38 :       0.1429    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.2179      2.00000
      2       1.8082      2.00000
      3       1.8537      2.00000
      4       1.9565      2.00000
      5       2.0628      2.00000
      6       2.4997      2.00000
      7       2.5158      2.00000
      8       2.5993      2.00000
      9       2.6278      2.00000
     10       2.7956      2.00000
     11       2.7960      2.00000
     12       3.1187      2.00000
     13       3.1882      2.00000
     14       3.2068      2.00000
     15       3.3852      2.00000
     16       3.4292      2.00000
     17       3.6116      2.00000
     18       3.7308      2.00000
     19       3.7814      2.00001
     20       4.3744      1.71684
     21       6.0568     -0.00000
     22       6.1602     -0.00000
     23       6.3958     -0.00000
     24       6.8007     -0.00000
     25       6.8920     -0.00000
     26       7.1111     -0.00000
     27       7.2546     -0.00000
     28       7.2689     -0.00000
     29       7.4061     -0.00000
     30       7.6116     -0.00000
     31       7.6338     -0.00000
     32       7.8517     -0.00000
     33       8.2988     -0.00000
     34       8.4323     -0.00000
     35       8.6442     -0.00000
     36       9.0659     -0.00000
     37       9.1834     -0.00000
     38       9.4182     -0.00000
     39       9.5322     -0.00000
     40       9.6773     -0.00000
     41       9.8856     -0.00000
     42       9.8978     -0.00000
     43      10.2755      0.00000
     44      10.6386      0.00000

 k-point    39 :       0.2857    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.2754      2.00000
      2       1.7101      2.00000
      3       1.8646      2.00000
      4       1.9158      2.00000
      5       2.1233      2.00000
      6       2.2872      2.00000
      7       2.3621      2.00000
      8       2.5624      2.00000
      9       2.5657      2.00000
     10       2.8294      2.00000
     11       2.9705      2.00000
     12       3.0596      2.00000
     13       3.2594      2.00000
     14       3.4257      2.00000
     15       3.5041      2.00000
     16       3.6882      2.00000
     17       3.7064      2.00000
     18       3.8210      2.00004
     19       3.9291      2.00088
     20       4.3516      1.83367
     21       5.7217     -0.00000
     22       5.9038     -0.00000
     23       6.1023     -0.00000
     24       6.2891     -0.00000
     25       6.8080     -0.00000
     26       6.8082     -0.00000
     27       6.8907     -0.00000
     28       7.2242     -0.00000
     29       7.4893     -0.00000
     30       7.7076     -0.00000
     31       7.7432     -0.00000
     32       7.8985     -0.00000
     33       8.2089     -0.00000
     34       8.4197     -0.00000
     35       9.0575     -0.00000
     36       9.1633     -0.00000
     37       9.3452     -0.00000
     38       9.4284     -0.00000
     39       9.6045     -0.00000
     40       9.9536      0.00000
     41      10.2047      0.00000
     42      10.2696      0.00000
     43      10.4383      0.00000
     44      10.7716      0.00000

 k-point    40 :       0.4286    0.0833    0.3500
  band No.  band energies     occupation 
      1       1.3740      2.00000
      2       1.5173      2.00000
      3       1.9609      2.00000
      4       2.0186      2.00000
      5       2.1010      2.00000
      6       2.1676      2.00000
      7       2.2319      2.00000
      8       2.3770      2.00000
      9       2.6575      2.00000
     10       2.7922      2.00000
     11       2.9449      2.00000
     12       3.0782      2.00000
     13       3.4893      2.00000
     14       3.6560      2.00000
     15       3.6901      2.00000
     16       3.7333      2.00000
     17       3.8323      2.00006
     18       3.8902      2.00032
     19       4.0168      2.00614
     20       4.2470      2.06674
     21       5.5573     -0.00000
     22       5.7676     -0.00000
     23       5.7889     -0.00000
     24       5.9091     -0.00000
     25       6.6153     -0.00000
     26       6.6490     -0.00000
     27       6.8485     -0.00000
     28       7.1131     -0.00000
     29       7.5384     -0.00000
     30       7.6510     -0.00000
     31       7.8466     -0.00000
     32       7.9899     -0.00000
     33       8.0243     -0.00000
     34       8.3379     -0.00000
     35       9.2758     -0.00000
     36       9.4110     -0.00000
     37       9.4302     -0.00000
     38       9.5627     -0.00000
     39       9.7389     -0.00000
     40      10.1654      0.00000
     41      10.1872      0.00000
     42      10.3672      0.00000
     43      10.8249      0.00000
     44      11.1229      0.00000

 k-point    41 :       0.0000    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.2359      2.00000
      2       1.5849      2.00000
      3       1.8755      2.00000
      4       2.2504      2.00000
      5       2.2928      2.00000
      6       2.3216      2.00000
      7       2.3401      2.00000
      8       2.5886      2.00000
      9       2.6824      2.00000
     10       2.8941      2.00000
     11       2.9417      2.00000
     12       3.0788      2.00000
     13       3.2499      2.00000
     14       3.2681      2.00000
     15       3.2727      2.00000
     16       3.3251      2.00000
     17       3.4645      2.00000
     18       3.6749      2.00000
     19       3.6892      2.00000
     20       4.1648      2.05286
     21       6.1323     -0.00000
     22       6.3663     -0.00000
     23       6.4832     -0.00000
     24       6.8014     -0.00000
     25       6.9595     -0.00000
     26       7.1012     -0.00000
     27       7.3873     -0.00000
     28       7.5198     -0.00000
     29       7.5406     -0.00000
     30       7.6000     -0.00000
     31       7.6503     -0.00000
     32       8.0938     -0.00000
     33       8.1875     -0.00000
     34       8.2152     -0.00000
     35       8.7873     -0.00000
     36       9.0409     -0.00000
     37       9.2983     -0.00000
     38       9.4133     -0.00000
     39       9.4656     -0.00000
     40       9.6105     -0.00000
     41       9.9139     -0.00000
     42      10.0464      0.00000
     43      10.0731      0.00000
     44      10.7317      0.00000

 k-point    42 :       0.1429    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.2549      2.00000
      2       1.6044      2.00000
      3       1.8952      2.00000
      4       1.9943      2.00000
      5       2.2866      2.00000
      6       2.3337      2.00000
      7       2.3678      2.00000
      8       2.6341      2.00000
      9       2.6562      2.00000
     10       2.9702      2.00000
     11       3.0004      2.00000
     12       3.0483      2.00000
     13       3.1160      2.00000
     14       3.2532      2.00000
     15       3.3989      2.00000
     16       3.5365      2.00000
     17       3.5625      2.00000
     18       3.6325      2.00000
     19       3.7353      2.00000
     20       4.1715      2.05587
     21       6.0552     -0.00000
     22       6.0920     -0.00000
     23       6.4082     -0.00000
     24       6.6036     -0.00000
     25       6.7666     -0.00000
     26       7.0439     -0.00000
     27       7.2822     -0.00000
     28       7.3699     -0.00000
     29       7.5550     -0.00000
     30       7.7148     -0.00000
     31       7.7562     -0.00000
     32       8.1761     -0.00000
     33       8.3033     -0.00000
     34       8.3870     -0.00000
     35       8.7057     -0.00000
     36       9.0784     -0.00000
     37       9.1632     -0.00000
     38       9.5443     -0.00000
     39       9.5510     -0.00000
     40       9.6450     -0.00000
     41      10.0574      0.00000
     42      10.1885      0.00000
     43      10.2267      0.00000
     44      10.7080      0.00000

 k-point    43 :       0.2857    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.3127      2.00000
      2       1.6635      2.00000
      3       1.7481      2.00000
      4       1.9548      2.00000
      5       2.1006      2.00000
      6       2.3467      2.00000
      7       2.3775      2.00000
      8       2.4417      2.00000
      9       2.7772      2.00000
     10       2.8410      2.00000
     11       3.0256      2.00000
     12       3.1965      2.00000
     13       3.3238      2.00000
     14       3.4244      2.00000
     15       3.5199      2.00000
     16       3.5477      2.00000
     17       3.6969      2.00000
     18       3.7652      2.00001
     19       3.8566      2.00013
     20       4.1771      2.05831
     21       5.6644     -0.00000
     22       5.8542     -0.00000
     23       6.0812     -0.00000
     24       6.0818     -0.00000
     25       6.7835     -0.00000
     26       6.8628     -0.00000
     27       7.0037     -0.00000
     28       7.4674     -0.00000
     29       7.5256     -0.00000
     30       7.7199     -0.00000
     31       7.8308     -0.00000
     32       8.1158     -0.00000
     33       8.2582     -0.00000
     34       8.5965     -0.00000
     35       8.9374     -0.00000
     36       9.1815     -0.00000
     37       9.2959     -0.00000
     38       9.6158     -0.00000
     39       9.6550     -0.00000
     40       9.7925     -0.00000
     41      10.2072      0.00000
     42      10.3572      0.00000
     43      10.5313      0.00000
     44      10.7957      0.00000

 k-point    44 :       0.4286    0.2500    0.3500
  band No.  band energies     occupation 
      1       1.4115      2.00000
      2       1.5553      2.00000
      3       1.7640      2.00000
      4       1.9084      2.00000
      5       2.0568      2.00000
      6       2.2007      2.00000
      7       2.4471      2.00000
      8       2.5276      2.00000
      9       2.5935      2.00000
     10       2.6672      2.00000
     11       3.2042      2.00000
     12       3.3104      2.00000
     13       3.4964      2.00000
     14       3.5891      2.00000
     15       3.6097      2.00000
     16       3.6632      2.00000
     17       3.7049      2.00000
     18       3.8625      2.00015
     19       3.9829      2.00306
     20       4.1344      2.03890
     21       5.4673     -0.00000
     22       5.6646     -0.00000
     23       5.7152     -0.00000
     24       5.7232     -0.00000
     25       6.7447     -0.00000
     26       6.8177     -0.00000
     27       6.8390     -0.00000
     28       7.4944     -0.00000
     29       7.5670     -0.00000
     30       7.6600     -0.00000
     31       7.9085     -0.00000
     32       8.0476     -0.00000
     33       8.0537     -0.00000
     34       8.6285     -0.00000
     35       9.2476     -0.00000
     36       9.3628     -0.00000
     37       9.5045     -0.00000
     38       9.6214     -0.00000
     39       9.6617     -0.00000
     40       9.9580      0.00000
     41      10.2670      0.00000
     42      10.3834      0.00000
     43      10.6596      0.00000
     44      10.8150      0.00000

 k-point    45 :       0.0000    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.3109      2.00000
      2       1.4262      2.00000
      3       1.9611      2.00000
      4       2.0909      2.00000
      5       2.3459      2.00000
      6       2.4001      2.00000
      7       2.4508      2.00000
      8       2.5124      2.00000
      9       2.6908      2.00000
     10       2.9792      2.00000
     11       3.0163      2.00000
     12       3.0382      2.00000
     13       3.1002      2.00000
     14       3.2012      2.00000
     15       3.4446      2.00000
     16       3.4723      2.00000
     17       3.5277      2.00000
     18       3.6448      2.00000
     19       3.6616      2.00000
     20       3.8344      2.00007
     21       6.2198     -0.00000
     22       6.3263     -0.00000
     23       6.5410     -0.00000
     24       6.6211     -0.00000
     25       6.7109     -0.00000
     26       6.7653     -0.00000
     27       7.4864     -0.00000
     28       7.5379     -0.00000
     29       7.7664     -0.00000
     30       7.7996     -0.00000
     31       7.8873     -0.00000
     32       7.9794     -0.00000
     33       8.5160     -0.00000
     34       8.5232     -0.00000
     35       8.7053     -0.00000
     36       9.1316     -0.00000
     37       9.1596     -0.00000
     38       9.2744     -0.00000
     39       9.5351     -0.00000
     40       9.6754     -0.00000
     41       9.7704     -0.00000
     42      10.0687      0.00000
     43      10.5477      0.00000
     44      10.7501      0.00000

 k-point    46 :       0.1429    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.3301      2.00000
      2       1.4456      2.00000
      3       1.9810      2.00000
      4       2.0702      2.00000
      5       2.1118      2.00000
      6       2.1862      2.00000
      7       2.6658      2.00000
      8       2.7206      2.00000
      9       2.7472      2.00000
     10       2.8440      2.00000
     11       2.8530      2.00000
     12       3.0854      2.00000
     13       3.2670      2.00000
     14       3.3769      2.00000
     15       3.3909      2.00000
     16       3.4871      2.00000
     17       3.6013      2.00000
     18       3.6548      2.00000
     19       3.6882      2.00000
     20       3.8489      2.00010
     21       6.1132     -0.00000
     22       6.1290     -0.00000
     23       6.2891     -0.00000
     24       6.3565     -0.00000
     25       6.7635     -0.00000
     26       6.8670     -0.00000
     27       7.3601     -0.00000
     28       7.3727     -0.00000
     29       7.7636     -0.00000
     30       7.8518     -0.00000
     31       7.9764     -0.00000
     32       8.1483     -0.00000
     33       8.4711     -0.00000
     34       8.6326     -0.00000
     35       8.7129     -0.00000
     36       9.1638     -0.00000
     37       9.2459     -0.00000
     38       9.2678     -0.00000
     39       9.5977     -0.00000
     40       9.7919     -0.00000
     41       9.8629     -0.00000
     42      10.1311      0.00000
     43      10.5427      0.00000
     44      10.7035      0.00000

 k-point    47 :       0.2857    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.3882      2.00000
      2       1.5043      2.00000
      3       1.8251      2.00000
      4       1.9420      2.00000
      5       2.0416      2.00000
      6       2.1717      2.00000
      7       2.4768      2.00000
      8       2.6086      2.00000
      9       2.7685      2.00000
     10       3.0704      2.00000
     11       3.1342      2.00000
     12       3.1760      2.00000
     13       3.2246      2.00000
     14       3.4080      2.00000
     15       3.5575      2.00000
     16       3.6108      2.00000
     17       3.6376      2.00000
     18       3.7747      2.00001
     19       3.7791      2.00001
     20       3.8908      2.00033
     21       5.6952     -0.00000
     22       5.8177     -0.00000
     23       5.9024     -0.00000
     24       5.9692     -0.00000
     25       6.8213     -0.00000
     26       6.8507     -0.00000
     27       7.1706     -0.00000
     28       7.3280     -0.00000
     29       7.7665     -0.00000
     30       7.8700     -0.00000
     31       7.9743     -0.00000
     32       8.2174     -0.00000
     33       8.4528     -0.00000
     34       8.6924     -0.00000
     35       8.8935     -0.00000
     36       9.2559     -0.00000
     37       9.3428     -0.00000
     38       9.4164     -0.00000
     39       9.7084     -0.00000
     40       9.9296     -0.00000
     41      10.0364      0.00000
     42      10.3210      0.00000
     43      10.5152      0.00000
     44      10.8158      0.00000

 k-point    48 :       0.4286    0.4167    0.3500
  band No.  band energies     occupation 
      1       1.4877      2.00000
      2       1.6045      2.00000
      3       1.6321      2.00000
      4       1.7494      2.00000
      5       2.1428      2.00000
      6       2.2733      2.00000
      7       2.2886      2.00000
      8       2.4205      2.00000
      9       2.8619      2.00000
     10       2.9907      2.00000
     11       3.2019      2.00000
     12       3.3054      2.00000
     13       3.4592      2.00000
     14       3.5448      2.00000
     15       3.5799      2.00000
     16       3.6823      2.00000
     17       3.6977      2.00000
     18       3.8599      2.00014
     19       3.8797      2.00024
     20       3.9451      2.00130
     21       5.4392     -0.00000
     22       5.5211     -0.00000
     23       5.6065     -0.00000
     24       5.6401     -0.00000
     25       6.8181     -0.00000
     26       6.8462     -0.00000
     27       7.0726     -0.00000
     28       7.3365     -0.00000
     29       7.8059     -0.00000
     30       7.8958     -0.00000
     31       7.9242     -0.00000
     32       8.0578     -0.00000
     33       8.4518     -0.00000
     34       8.9150     -0.00000
     35       8.9636     -0.00000
     36       9.1936     -0.00000
     37       9.4920     -0.00000
     38       9.5515     -0.00000
     39       9.7529     -0.00000
     40       9.9246     -0.00000
     41      10.2045      0.00000
     42      10.4770      0.00000
     43      10.6015      0.00000
     44      10.8573      0.00000

 k-point    49 :       0.0000    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.3633      2.00000
      2       1.5737      2.00000
      3       1.9778      2.00000
      4       2.2066      2.00000
      5       2.2359      2.00000
      6       2.3953      2.00000
      7       2.4397      2.00000
      8       2.5190      2.00000
      9       2.6195      2.00000
     10       2.6456      2.00000
     11       2.9622      2.00000
     12       3.0337      2.00000
     13       3.1735      2.00000
     14       3.1940      2.00000
     15       3.2225      2.00000
     16       3.2387      2.00000
     17       3.3843      2.00000
     18       3.4080      2.00000
     19       3.9268      2.00083
     20       4.2011      2.06711
     21       6.3621     -0.00000
     22       6.5657     -0.00000
     23       6.8252     -0.00000
     24       7.1035     -0.00000
     25       7.2168     -0.00000
     26       7.2221     -0.00000
     27       7.2374     -0.00000
     28       7.3722     -0.00000
     29       7.7521     -0.00000
     30       7.7973     -0.00000
     31       7.8022     -0.00000
     32       8.0576     -0.00000
     33       8.2116     -0.00000
     34       8.4311     -0.00000
     35       8.7209     -0.00000
     36       9.0658     -0.00000
     37       9.1532     -0.00000
     38       9.3496     -0.00000
     39       9.4774     -0.00000
     40       9.4805     -0.00000
     41       9.4959     -0.00000
     42       9.6455     -0.00000
     43       9.6558     -0.00000
     44       9.9342      0.00000

 k-point    50 :       0.1429    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.3825      2.00000
      2       1.5931      2.00000
      3       1.9974      2.00000
      4       2.1191      2.00000
      5       2.2374      2.00000
      6       2.2492      2.00000
      7       2.3466      2.00000
      8       2.4998      2.00000
      9       2.7167      2.00000
     10       2.7893      2.00000
     11       2.9189      2.00000
     12       2.9449      2.00000
     13       3.0289      2.00000
     14       3.1795      2.00000
     15       3.3023      2.00000
     16       3.4735      2.00000
     17       3.4747      2.00000
     18       3.6057      2.00000
     19       3.9505      2.00147
     20       4.2107      2.06943
     21       6.2144     -0.00000
     22       6.2754     -0.00000
     23       6.6204     -0.00000
     24       6.7658     -0.00000
     25       7.0757     -0.00000
     26       7.0916     -0.00000
     27       7.2784     -0.00000
     28       7.3441     -0.00000
     29       7.7260     -0.00000
     30       7.7385     -0.00000
     31       8.0515     -0.00000
     32       8.2707     -0.00000
     33       8.3121     -0.00000
     34       8.5971     -0.00000
     35       8.7006     -0.00000
     36       8.9907     -0.00000
     37       9.0324     -0.00000
     38       9.3247     -0.00000
     39       9.3794     -0.00000
     40       9.6416     -0.00000
     41       9.6998     -0.00000
     42       9.7615     -0.00000
     43       9.9412      0.00000
     44      10.1303      0.00000

 k-point    51 :       0.2857    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.4407      2.00000
      2       1.6518      2.00000
      3       1.8777      2.00000
      4       2.0498      2.00000
      5       2.0968      2.00000
      6       2.2925      2.00000
      7       2.3220      2.00000
      8       2.4900      2.00000
      9       2.5583      2.00000
     10       2.7148      2.00000
     11       2.7386      2.00000
     12       2.9596      2.00000
     13       3.2123      2.00000
     14       3.3515      2.00000
     15       3.5845      2.00000
     16       3.6950      2.00000
     17       3.7245      2.00000
     18       3.7747      2.00001
     19       4.0137      2.00579
     20       4.2228      2.07087
     21       5.8221     -0.00000
     22       5.8871     -0.00000
     23       6.1673     -0.00000
     24       6.2369     -0.00000
     25       6.9450     -0.00000
     26       7.0074     -0.00000
     27       7.0869     -0.00000
     28       7.1796     -0.00000
     29       7.7459     -0.00000
     30       7.7681     -0.00000
     31       8.1368     -0.00000
     32       8.1704     -0.00000
     33       8.4599     -0.00000
     34       8.8376     -0.00000
     35       8.9974     -0.00000
     36       9.0105     -0.00000
     37       9.1469     -0.00000
     38       9.3598     -0.00000
     39       9.3650     -0.00000
     40       9.7116     -0.00000
     41      10.0268      0.00000
     42      10.0725      0.00000
     43      10.3540      0.00000
     44      10.5613      0.00000

 k-point    52 :       0.4286    0.0833    0.4500
  band No.  band energies     occupation 
      1       1.5404      2.00000
      2       1.6848      2.00000
      3       1.7518      2.00000
      4       1.8957      2.00000
      5       2.1600      2.00000
      6       2.3033      2.00000
      7       2.3901      2.00000
      8       2.4206      2.00000
      9       2.5301      2.00000
     10       2.5612      2.00000
     11       2.6607      2.00000
     12       2.7970      2.00000
     13       3.5761      2.00000
     14       3.6420      2.00000
     15       3.7321      2.00000
     16       3.7581      2.00001
     17       3.9055      2.00048
     18       3.9700      2.00231
     19       4.0190      2.00641
     20       4.1680      2.05429
     21       5.5934     -0.00000
     22       5.6747     -0.00000
     23       5.7670     -0.00000
     24       5.8180     -0.00000
     25       6.8517     -0.00000
     26       6.8985     -0.00000
     27       6.9626     -0.00000
     28       7.0779     -0.00000
     29       7.8045     -0.00000
     30       7.8431     -0.00000
     31       7.9606     -0.00000
     32       7.9772     -0.00000
     33       8.6194     -0.00000
     34       8.8891     -0.00000
     35       9.1752     -0.00000
     36       9.1902     -0.00000
     37       9.3327     -0.00000
     38       9.3522     -0.00000
     39       9.4544     -0.00000
     40       9.6508     -0.00000
     41      10.3306      0.00000
     42      10.5531      0.00000
     43      10.6104      0.00000
     44      10.9326      0.00000

 k-point    53 :       0.0000    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.4021      2.00000
      2       1.6145      2.00000
      3       1.7662      2.00000
      4       1.9934      2.00000
      5       2.4433      2.00000
      6       2.4803      2.00000
      7       2.5221      2.00000
      8       2.6510      2.00000
      9       2.7059      2.00000
     10       2.8046      2.00000
     11       2.8165      2.00000
     12       2.8540      2.00000
     13       3.0080      2.00000
     14       3.0508      2.00000
     15       3.3778      2.00000
     16       3.4272      2.00000
     17       3.5198      2.00000
     18       3.5469      2.00000
     19       3.6899      2.00000
     20       3.9550      2.00164
     21       6.4007     -0.00000
     22       6.5422     -0.00000
     23       6.6123     -0.00000
     24       6.8246     -0.00000
     25       7.2547     -0.00000
     26       7.2926     -0.00000
     27       7.4811     -0.00000
     28       7.5261     -0.00000
     29       7.6321     -0.00000
     30       7.6380     -0.00000
     31       7.7731     -0.00000
     32       7.9872     -0.00000
     33       8.3547     -0.00000
     34       8.6846     -0.00000
     35       8.8488     -0.00000
     36       9.0614     -0.00000
     37       9.2196     -0.00000
     38       9.2421     -0.00000
     39       9.5228     -0.00000
     40       9.7117     -0.00000
     41       9.8040     -0.00000
     42       9.8492     -0.00000
     43       9.8497     -0.00000
     44      10.1652      0.00000

 k-point    54 :       0.1429    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.4213      2.00000
      2       1.6339      2.00000
      3       1.7860      2.00000
      4       2.0126      2.00000
      5       2.1655      2.00000
      6       2.3680      2.00000
      7       2.5218      2.00000
      8       2.5786      2.00000
      9       2.7299      2.00000
     10       2.7708      2.00000
     11       2.8985      2.00000
     12       3.0094      2.00000
     13       3.1395      2.00000
     14       3.2270      2.00000
     15       3.3061      2.00000
     16       3.4021      2.00000
     17       3.5918      2.00000
     18       3.6554      2.00000
     19       3.7215      2.00000
     20       3.9698      2.00229
     21       6.2162     -0.00000
     22       6.2173     -0.00000
     23       6.5258     -0.00000
     24       6.5897     -0.00000
     25       7.0790     -0.00000
     26       7.0921     -0.00000
     27       7.4790     -0.00000
     28       7.5159     -0.00000
     29       7.7378     -0.00000
     30       7.8281     -0.00000
     31       7.9209     -0.00000
     32       8.0771     -0.00000
     33       8.3976     -0.00000
     34       8.6542     -0.00000
     35       8.8473     -0.00000
     36       9.0766     -0.00000
     37       9.1550     -0.00000
     38       9.2984     -0.00000
     39       9.6320     -0.00000
     40       9.7344     -0.00000
     41       9.7680     -0.00000
     42       9.9763      0.00000
     43      10.1544      0.00000
     44      10.3036      0.00000

 k-point    55 :       0.2857    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.4798      2.00000
      2       1.6928      2.00000
      3       1.8459      2.00000
      4       1.9174      2.00000
      5       2.0753      2.00000
      6       2.1305      2.00000
      7       2.2868      2.00000
      8       2.5107      2.00000
      9       2.6275      2.00000
     10       2.8611      2.00000
     11       3.0032      2.00000
     12       3.1710      2.00000
     13       3.2857      2.00000
     14       3.3787      2.00000
     15       3.4872      2.00000
     16       3.5757      2.00000
     17       3.7213      2.00000
     18       3.7464      2.00000
     19       3.8282      2.00005
     20       4.0075      2.00511
     21       5.7638     -0.00000
     22       5.8430     -0.00000
     23       6.0672     -0.00000
     24       6.0755     -0.00000
     25       7.0700     -0.00000
     26       7.0900     -0.00000
     27       7.2587     -0.00000
     28       7.4184     -0.00000
     29       7.7868     -0.00000
     30       7.8393     -0.00000
     31       8.1063     -0.00000
     32       8.1969     -0.00000
     33       8.3941     -0.00000
     34       8.7567     -0.00000
     35       8.9470     -0.00000
     36       9.1425     -0.00000
     37       9.2201     -0.00000
     38       9.3791     -0.00000
     39       9.6741     -0.00000
     40       9.8698     -0.00000
     41       9.9039     -0.00000
     42      10.1133      0.00000
     43      10.4941      0.00000
     44      10.7104      0.00000

 k-point    56 :       0.4286    0.2500    0.4500
  band No.  band energies     occupation 
      1       1.5798      2.00000
      2       1.7246      2.00000
      3       1.7929      2.00000
      4       1.9314      2.00000
      5       1.9548      2.00000
      6       2.0954      2.00000
      7       2.1757      2.00000
      8       2.3221      2.00000
      9       2.7200      2.00000
     10       2.8496      2.00000
     11       2.9523      2.00000
     12       3.0711      2.00000
     13       3.5794      2.00000
     14       3.6338      2.00000
     15       3.6779      2.00000
     16       3.6983      2.00000
     17       3.7813      2.00001
     18       3.8935      2.00035
     19       3.8971      2.00039
     20       4.0202      2.00657
     21       5.4953     -0.00000
     22       5.5657     -0.00000
     23       5.6554     -0.00000
     24       5.6647     -0.00000
     25       7.0642     -0.00000
     26       7.1156     -0.00000
     27       7.1206     -0.00000
     28       7.3666     -0.00000
     29       7.8001     -0.00000
     30       7.8657     -0.00000
     31       8.0363     -0.00000
     32       8.0491     -0.00000
     33       8.4312     -0.00000
     34       8.9872     -0.00000
     35       9.0593     -0.00000
     36       9.2987     -0.00000
     37       9.3462     -0.00000
     38       9.4765     -0.00000
     39       9.5296     -0.00000
     40       9.7662     -0.00000
     41      10.1232      0.00000
     42      10.3455      0.00000
     43      10.6308      0.00000
     44      10.8768      0.00000

 k-point    57 :       0.0000    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.4807      2.00000
      2       1.6012      2.00000
      3       1.6969      2.00000
      4       1.8226      2.00000
      5       2.5173      2.00000
      6       2.5608      2.00000
      7       2.6185      2.00000
      8       2.6713      2.00000
      9       2.7285      2.00000
     10       2.7738      2.00000
     11       2.8550      2.00000
     12       2.8819      2.00000
     13       2.9625      2.00000
     14       3.1921      2.00000
     15       3.3251      2.00000
     16       3.5090      2.00000
     17       3.5618      2.00000
     18       3.5992      2.00000
     19       3.6006      2.00000
     20       3.6076      2.00000
     21       6.4478     -0.00000
     22       6.4874     -0.00000
     23       6.5357     -0.00000
     24       6.6189     -0.00000
     25       7.0901     -0.00000
     26       7.1146     -0.00000
     27       7.4484     -0.00000
     28       7.5049     -0.00000
     29       7.9139     -0.00000
     30       7.9264     -0.00000
     31       7.9620     -0.00000
     32       7.9925     -0.00000
     33       8.5094     -0.00000
     34       8.6918     -0.00000
     35       8.8199     -0.00000
     36       8.9438     -0.00000
     37       9.2522     -0.00000
     38       9.3910     -0.00000
     39       9.4225     -0.00000
     40       9.5411     -0.00000
     41      10.2061      0.00000
     42      10.3446      0.00000
     43      10.3871      0.00000
     44      10.5316      0.00000

 k-point    58 :       0.1429    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.5001      2.00000
      2       1.6208      2.00000
      3       1.7166      2.00000
      4       1.8424      2.00000
      5       2.2438      2.00000
      6       2.3617      2.00000
      7       2.4588      2.00000
      8       2.5812      2.00000
      9       2.8788      2.00000
     10       2.8961      2.00000
     11       2.9990      2.00000
     12       3.1315      2.00000
     13       3.1322      2.00000
     14       3.2371      2.00000
     15       3.3721      2.00000
     16       3.4296      2.00000
     17       3.5629      2.00000
     18       3.6087      2.00000
     19       3.6159      2.00000
     20       3.6327      2.00000
     21       6.2285     -0.00000
     22       6.2438     -0.00000
     23       6.3647     -0.00000
     24       6.3805     -0.00000
     25       7.1173     -0.00000
     26       7.1520     -0.00000
     27       7.4320     -0.00000
     28       7.4745     -0.00000
     29       7.9358     -0.00000
     30       7.9485     -0.00000
     31       8.0025     -0.00000
     32       8.0512     -0.00000
     33       8.6148     -0.00000
     34       8.6648     -0.00000
     35       8.8366     -0.00000
     36       9.0595     -0.00000
     37       9.2865     -0.00000
     38       9.3552     -0.00000
     39       9.5149     -0.00000
     40       9.6067     -0.00000
     41      10.2175      0.00000
     42      10.3338      0.00000
     43      10.4788      0.00000
     44      10.6446      0.00000

 k-point    59 :       0.2857    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.5590      2.00000
      2       1.6800      2.00000
      3       1.7763      2.00000
      4       1.9019      2.00000
      5       1.9998      2.00000
      6       2.1199      2.00000
      7       2.2181      2.00000
      8       2.3436      2.00000
      9       2.9642      2.00000
     10       3.1431      2.00000
     11       3.2445      2.00000
     12       3.2592      2.00000
     13       3.3523      2.00000
     14       3.3955      2.00000
     15       3.4805      2.00000
     16       3.4921      2.00000
     17       3.5596      2.00000
     18       3.6490      2.00000
     19       3.6630      2.00000
     20       3.7022      2.00000
     21       5.7728     -0.00000
     22       5.8395     -0.00000
     23       5.8968     -0.00000
     24       5.9427     -0.00000
     25       7.1888     -0.00000
     26       7.2018     -0.00000
     27       7.4100     -0.00000
     28       7.4865     -0.00000
     29       7.8846     -0.00000
     30       7.9191     -0.00000
     31       7.9985     -0.00000
     32       8.1624     -0.00000
     33       8.7046     -0.00000
     34       8.7323     -0.00000
     35       8.9411     -0.00000
     36       9.1653     -0.00000
     37       9.3492     -0.00000
     38       9.3626     -0.00000
     39       9.5918     -0.00000
     40       9.6550     -0.00000
     41      10.3164      0.00000
     42      10.4451      0.00000
     43      10.6090      0.00000
     44      10.8160      0.00000

 k-point    60 :       0.4286    0.4167    0.4500
  band No.  band energies     occupation 
      1       1.6595      2.00000
      2       1.7806      2.00000
      3       1.8049      2.00000
      4       1.8762      2.00000
      5       1.9289      2.00000
      6       2.0048      2.00000
      7       2.0252      2.00000
      8       2.1517      2.00000
      9       3.0485      2.00000
     10       3.1555      2.00000
     11       3.2478      2.00000
     12       3.3019      2.00000
     13       3.4562      2.00000
     14       3.4941      2.00000
     15       3.5414      2.00000
     16       3.6161      2.00000
     17       3.7080      2.00000
     18       3.7884      2.00002
     19       3.8147      2.00004
     20       3.8257      2.00005
     21       5.4517     -0.00000
     22       5.5016     -0.00000
     23       5.5202     -0.00000
     24       5.5569     -0.00000
     25       7.2162     -0.00000
     26       7.2459     -0.00000
     27       7.4036     -0.00000
     28       7.5394     -0.00000
     29       7.8630     -0.00000
     30       7.9206     -0.00000
     31       7.9535     -0.00000
     32       8.1004     -0.00000
     33       8.6493     -0.00000
     34       8.9184     -0.00000
     35       9.0888     -0.00000
     36       9.1380     -0.00000
     37       9.3956     -0.00000
     38       9.4408     -0.00000
     39       9.5338     -0.00000
     40       9.6027     -0.00000
     41      10.4178      0.00000
     42      10.5846      0.00000
     43      10.7145      0.00000
     44      10.9112      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
  1.204   5.375  -0.004   0.012   0.004
  5.375  22.974  -0.015   0.044   0.016
 -0.004  -0.015  -0.240  -0.001   0.002
  0.012   0.044  -0.001  -0.249  -0.000
  0.004   0.016   0.002  -0.000  -0.241
 total augmentation occupancy for first ion, spin component:           1
  2.390  -0.037   0.039  -0.111  -0.040
 -0.037   0.001  -0.002   0.003   0.002
  0.039  -0.002   0.221  -0.007   0.011
 -0.111   0.003  -0.007   0.139   0.002
 -0.040   0.002   0.011   0.002   0.210


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


    CHARGE:  cpu time    0.1744: real time    0.1744
    FORLOC:  cpu time    0.0119: real time    0.0119
    FORNL :  cpu time   13.0504: real time   13.0517
    STRESS:  cpu time    4.7382: real time    4.7386
    FORCOR:  cpu time    0.0289: real time    0.0301
    FORHAR:  cpu time    0.0210: real time    0.0210
    MIXING:  cpu time    0.0040: real time    0.0040
    OFIELD:  cpu time    0.0000: real time    0.0000

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    14.66861    14.66861    14.66861
  Ewald    -143.54059  -148.58992  -130.75455     0.00000     0.00000    -0.00000
  Hartree     1.18519     0.68929     1.05755    -0.00000    -0.00000     0.00000
  E(xc)    -108.52436  -108.98650  -107.79154     0.00000     0.00000    -0.00000
  Local       7.69849     2.19418    11.56684     0.00000     0.00000    -0.00000
  n-local   130.63494   131.23143   128.18102     0.01971     0.07519    -0.21154
  augment     7.39761     7.55325     7.07943    -0.00000    -0.00000     0.00000
  Kinetic   215.23433   226.17230   200.76730     0.07347    -1.14826    -0.90260
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     124.75422   124.93264   124.77466     0.00000     0.00000     0.00000
  in kB     699.49357   700.49394   699.60817     0.00000     0.00000     0.00000
  external pressure =       -0.13 kB  Pullay stress =      700.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      650.00
  volume of cell :      285.75
      direct lattice vectors                 reciprocal lattice vectors
     6.901880560  0.000000000  0.000000000     0.144888048  0.000000000  0.000000000
     0.000000000  8.159272636  0.000000000     0.000000000  0.122559944  0.000000000
     0.000000000  0.000000000  5.074149114     0.000000000  0.000000000  0.197077377

  length of vectors
     6.901880560  8.159272636  5.074149114     0.144888048  0.122559944  0.197077377


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.410E-01 0.105E+00 -.258E+00   -.446E+00 0.365E+00 -.115E+01   0.486E+00 -.465E+00 0.142E+01   0.265E-06 -.417E-06 0.310E-06
   0.410E-01 -.105E+00 -.258E+00   0.446E+00 -.365E+00 -.115E+01   -.486E+00 0.465E+00 0.142E+01   -.265E-06 0.417E-06 0.310E-06
   -.410E-01 -.105E+00 -.258E+00   -.446E+00 -.365E+00 -.115E+01   0.486E+00 0.465E+00 0.142E+01   0.265E-06 0.417E-06 0.310E-06
   0.410E-01 0.105E+00 -.258E+00   0.446E+00 0.365E+00 -.115E+01   -.486E+00 -.465E+00 0.142E+01   -.265E-06 -.417E-06 0.310E-06
   -.410E-01 0.105E+00 -.258E+00   -.446E+00 0.365E+00 -.115E+01   0.486E+00 -.465E+00 0.142E+01   0.265E-06 -.417E-06 0.310E-06
   0.410E-01 -.105E+00 -.258E+00   0.446E+00 -.365E+00 -.115E+01   -.486E+00 0.465E+00 0.142E+01   -.265E-06 0.417E-06 0.310E-06
   -.410E-01 -.105E+00 -.258E+00   -.446E+00 -.365E+00 -.115E+01   0.486E+00 0.465E+00 0.142E+01   0.265E-06 0.417E-06 0.310E-06
   0.410E-01 0.105E+00 -.258E+00   0.446E+00 0.365E+00 -.115E+01   -.486E+00 -.465E+00 0.142E+01   -.265E-06 -.417E-06 0.310E-06
   -.220E-01 -.397E-01 0.129E+00   -.477E-01 -.224E+00 0.724E+00   0.713E-01 0.263E+00 -.851E+00   0.454E-06 0.103E-05 0.505E-06
   0.220E-01 0.397E-01 0.129E+00   0.477E-01 0.224E+00 0.724E+00   -.713E-01 -.263E+00 -.851E+00   -.454E-06 -.103E-05 0.505E-06
   -.220E-01 0.397E-01 0.129E+00   -.477E-01 0.224E+00 0.724E+00   0.713E-01 -.263E+00 -.851E+00   0.454E-06 -.103E-05 0.505E-06
   0.220E-01 -.397E-01 0.129E+00   0.477E-01 -.224E+00 0.724E+00   -.713E-01 0.263E+00 -.851E+00   -.454E-06 0.103E-05 0.505E-06
   -.220E-01 -.397E-01 0.129E+00   -.477E-01 -.224E+00 0.724E+00   0.713E-01 0.263E+00 -.851E+00   0.454E-06 0.103E-05 0.505E-06
   0.220E-01 0.397E-01 0.129E+00   0.477E-01 0.224E+00 0.724E+00   -.713E-01 -.263E+00 -.851E+00   -.454E-06 -.103E-05 0.505E-06
   -.220E-01 0.397E-01 0.129E+00   -.477E-01 0.224E+00 0.724E+00   0.713E-01 -.263E+00 -.851E+00   0.454E-06 -.103E-05 0.505E-06
   0.220E-01 -.397E-01 0.129E+00   0.477E-01 -.224E+00 0.724E+00   -.713E-01 0.263E+00 -.851E+00   -.454E-06 0.103E-05 0.505E-06
   -.282E+00 -.146E+00 0.291E-01   -.651E+00 -.269E-01 0.713E-01   0.932E+00 0.172E+00 -.102E+00   -.245E-06 -.989E-06 -.871E-06
   0.282E+00 0.146E+00 0.291E-01   0.651E+00 0.269E-01 0.713E-01   -.932E+00 -.172E+00 -.102E+00   0.246E-06 0.989E-06 -.871E-06
   -.282E+00 0.146E+00 0.291E-01   -.651E+00 0.269E-01 0.713E-01   0.932E+00 -.172E+00 -.102E+00   -.246E-06 0.989E-06 -.871E-06
   0.282E+00 -.146E+00 0.291E-01   0.651E+00 -.269E-01 0.713E-01   -.932E+00 0.172E+00 -.102E+00   0.245E-06 -.989E-06 -.871E-06
   -.282E+00 -.146E+00 0.291E-01   -.651E+00 -.269E-01 0.713E-01   0.932E+00 0.172E+00 -.102E+00   -.245E-06 -.989E-06 -.871E-06
   0.282E+00 0.146E+00 0.291E-01   0.651E+00 0.269E-01 0.713E-01   -.932E+00 -.172E+00 -.102E+00   0.245E-06 0.989E-06 -.871E-06
   -.282E+00 0.146E+00 0.291E-01   -.651E+00 0.269E-01 0.713E-01   0.932E+00 -.172E+00 -.102E+00   -.246E-06 0.989E-06 -.871E-06
   0.282E+00 -.146E+00 0.291E-01   0.651E+00 -.269E-01 0.713E-01   -.932E+00 0.172E+00 -.102E+00   0.245E-06 -.989E-06 -.871E-06
   -.495E-01 -.668E-01 0.121E-01   -.198E+00 0.663E-01 0.372E-01   0.244E+00 0.263E-02 -.510E-01   -.147E-06 0.502E-06 0.135E-06
   0.495E-01 0.668E-01 0.121E-01   0.198E+00 -.663E-01 0.372E-01   -.244E+00 -.263E-02 -.510E-01   0.147E-06 -.502E-06 0.135E-06
   -.495E-01 0.668E-01 0.121E-01   -.198E+00 -.663E-01 0.372E-01   0.244E+00 -.263E-02 -.510E-01   -.147E-06 -.502E-06 0.135E-06
   0.495E-01 -.668E-01 0.121E-01   0.198E+00 0.663E-01 0.372E-01   -.244E+00 0.263E-02 -.510E-01   0.147E-06 0.502E-06 0.135E-06
   -.495E-01 -.668E-01 0.121E-01   -.198E+00 0.663E-01 0.372E-01   0.244E+00 0.263E-02 -.510E-01   -.147E-06 0.502E-06 0.135E-06
   0.495E-01 0.668E-01 0.121E-01   0.198E+00 -.663E-01 0.372E-01   -.244E+00 -.263E-02 -.510E-01   0.147E-06 -.502E-06 0.135E-06
   -.495E-01 0.668E-01 0.121E-01   -.198E+00 -.663E-01 0.372E-01   0.244E+00 -.263E-02 -.510E-01   -.147E-06 -.502E-06 0.135E-06
   0.495E-01 -.668E-01 0.121E-01   0.198E+00 0.663E-01 0.372E-01   -.244E+00 0.263E-02 -.510E-01   0.147E-06 0.502E-06 0.135E-06
   0.461E-01 0.151E+00 0.986E-01   0.202E+00 -.151E+00 0.322E+00   -.242E+00 0.908E-03 -.422E+00   -.908E-06 0.423E-06 -.105E-06
   -.461E-01 -.151E+00 0.986E-01   -.202E+00 0.151E+00 0.322E+00   0.242E+00 -.908E-03 -.422E+00   0.908E-06 -.423E-06 -.105E-06
   0.461E-01 -.151E+00 0.986E-01   0.202E+00 0.151E+00 0.322E+00   -.242E+00 -.908E-03 -.422E+00   -.908E-06 -.423E-06 -.105E-06
   -.461E-01 0.151E+00 0.986E-01   -.202E+00 -.151E+00 0.322E+00   0.242E+00 0.908E-03 -.422E+00   0.908E-06 0.423E-06 -.105E-06
   0.461E-01 0.151E+00 0.986E-01   0.202E+00 -.151E+00 0.322E+00   -.242E+00 0.908E-03 -.422E+00   -.908E-06 0.423E-06 -.105E-06
   -.461E-01 -.151E+00 0.986E-01   -.202E+00 0.151E+00 0.322E+00   0.242E+00 -.908E-03 -.422E+00   0.908E-06 -.423E-06 -.105E-06
   0.461E-01 -.151E+00 0.986E-01   0.202E+00 0.151E+00 0.322E+00   -.242E+00 -.908E-03 -.422E+00   -.908E-06 -.423E-06 -.105E-06
   -.461E-01 0.151E+00 0.986E-01   -.202E+00 -.151E+00 0.322E+00   0.242E+00 0.908E-03 -.422E+00   0.908E-06 0.423E-06 -.105E-06
 -----------------------------------------------------------------------------------------------
   -.287E-04 0.240E-04 0.841E-01   0.724E-14 0.308E-14 -.416E-14   0.139E-15 -.113E-15 -.850E-01   0.272E-12 -.122E-13 -.208E-06
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.64182      0.94984     -0.00296        -0.001197      0.003913      0.002522
      6.26006      7.20943     -0.00296         0.001197     -0.003913      0.002522
      4.09276      3.12980     -0.00296        -0.001197     -0.003913      0.002522
      2.80912      5.02947     -0.00296         0.001197      0.003913      0.002522
      0.64182      5.02947      2.53412        -0.001197      0.003913      0.002522
      6.26006      3.12980      2.53412         0.001197     -0.003913      0.002522
      4.09276      7.20943      2.53412        -0.001197     -0.003913      0.002522
      2.80912      0.94984      2.53412         0.001197      0.003913      0.002522
      5.96019      7.36706      1.59155         0.001641     -0.000771      0.002435
      0.94170      0.79221      1.59155        -0.001641      0.000771      0.002435
      2.50924      4.87185      1.59155         0.001641      0.000771      0.002435
      4.39264      3.28742      1.59155        -0.001641     -0.000771      0.002435
      5.96019      3.28742      4.12862         0.001641     -0.000771      0.002435
      0.94170      4.87185      4.12862        -0.001641      0.000771      0.002435
      2.50924      0.79221      4.12862         0.001641      0.000771      0.002435
      4.39264      7.36706      4.12862        -0.001641     -0.000771      0.002435
      6.67567      0.95616      3.01113        -0.000455     -0.001015     -0.001248
      0.22621      7.20311      3.01113         0.000455      0.001015     -0.001248
      3.22473      3.12347      3.01113        -0.000455      0.001015     -0.001248
      3.67715      5.03580      3.01113         0.000455     -0.001015     -0.001248
      6.67567      5.03580      0.47406        -0.000455     -0.001015     -0.001248
      0.22621      3.12347      0.47406         0.000455      0.001015     -0.001248
      3.22473      7.20311      0.47406        -0.000455      0.001015     -0.001248
      3.67715      0.95616      0.47406         0.000455     -0.001015     -0.001248
      2.42023      2.18591      0.89752        -0.003444      0.002186     -0.001587
      4.48165      5.97336      0.89752         0.003444     -0.002186     -0.001587
      5.87117      1.89373      0.89752        -0.003444     -0.002186     -0.001587
      1.03071      6.26555      0.89752         0.003444      0.002186     -0.001587
      2.42023      6.26555      3.43459        -0.003444      0.002186     -0.001587
      4.48165      1.89373      3.43459         0.003444     -0.002186     -0.001587
      5.87117      5.97336      3.43459        -0.003444     -0.002186     -0.001587
      1.03071      2.18591      3.43459         0.003444      0.002186     -0.001587
      2.00855      7.44153      1.91498         0.006137      0.000518     -0.002121
      4.89333      0.71774      1.91498        -0.006137     -0.000518     -0.002121
      5.45949      4.79738      1.91498         0.006137     -0.000518     -0.002121
      1.44239      3.36189      1.91498        -0.006137      0.000518     -0.002121
      2.00855      3.36189      4.45205         0.006137      0.000518     -0.002121
      4.89333      4.79738      4.45205        -0.006137     -0.000518     -0.002121
      5.45949      0.71774      4.45205         0.006137     -0.000518     -0.002121
      1.44239      7.44153      4.45205        -0.006137      0.000518     -0.002121
 -----------------------------------------------------------------------------------
    total drift:                               -0.000029      0.000024     -0.000804


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



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =       -16.93243126 eV

  energy  without entropy=      -16.94227841  energy(sigma->0) =      -16.93571364
  enthalpy is  TOTEN    =       107.91211280 eV   P V=      124.84454406

 d Force = 0.9464743E-04[ 0.403E-04, 0.149E-03]  d Energy = 0.6756475E-04 0.271E-04
 d Force = 0.2985006E-02[ 0.292E-02, 0.305E-02]  d Ewald  =-0.6668898E-02 0.965E-02


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


    POTLOK:  cpu time    0.0283: real time    0.0302


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




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


  
 reached required accuracy - stopping structural energy minimisation
     LOOP+:  cpu time   45.0677: real time   45.0865
    4ORBIT:  cpu time    0.0000: real time    0.0000

 total amount of memory used by VASP on root node    46714. kBytes
========================================================================

   base      :      30000. kBytes
   nonl-proj :       3210. kBytes
   fftplans  :        874. kBytes
   grid      :       1264. kBytes
   one-center:          4. kBytes
   wavefun   :      11362. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):      518.691
                            User time (sec):      487.358
                          System time (sec):       31.333
                         Elapsed time (sec):      519.574
  
                   Maximum memory used (kb):      203800.
                   Average memory used (kb):           0.
  
                          Minor page faults:        95199
                          Major page faults:            1
                 Voluntary context switches:         1785
