
******************************** Grid ********************************
Simulation Box:
  Type = parallelepiped
  Lengths [A] = (   4.584,   4.584,   4.584)
  Octopus will run in 3 dimension(s).
  Octopus will treat the system as periodic in 3 dimension(s).

  Lattice Vectors [A]
    0.000000    3.241350    3.241350
    3.241350    0.000000    3.241350
    3.241350    3.241350    0.000000
  Cell volume =            68.1095 [A^3]
  Reciprocal-Lattice Vectors [A^-1]
   -0.969224    0.969224    0.969224
    0.969224   -0.969224    0.969224
    0.969224    0.969224   -0.969224
  Cell angles [degree]
    alpha =   60.000
    beta  =   60.000
    gamma =   60.000
Main mesh:
  Spacing [A] = ( 0.417, 0.417, 0.417)    volume/point [A^3] =      0.05117
  # inner mesh =       1331
  # total mesh =       5619
  Grid Cutoff [eV] =   216.534030    Grid Cutoff [Ry] =    15.914959
**********************************************************************


***************************** Symmetries *****************************
Space group No.  216
International: F-43m
Schoenflies: Td^2
  Index                Rotation matrix                      Fractional translations
    1 :     1   0   0     0   1   0     0   0   1      0.000000    0.000000    0.000000
    2 :     0   0  -1     1   0  -1     0   1  -1      0.000000   -0.000000    0.000000
    3 :     0  -1   1     0  -1   0     1  -1   0     -0.000000    0.000000    0.000000
    4 :    -1   1   0    -1   0   1    -1   0   0      0.000000   -0.000000    0.000000
    5 :    -1   0   0    -1   0   1    -1   1   0      0.000000   -0.000000    0.000000
    6 :     1  -1   0     0  -1   0     0  -1   1      0.000000    0.000000    0.000000
    7 :     0   1  -1     1   0  -1     0   0  -1      0.000000   -0.000000    0.000000
    8 :     0   0   1     0   1   0     1   0   0     -0.000000    0.000000    0.000000
    9 :    -1   1   0    -1   0   0    -1   0   1      0.000000   -0.000000    0.000000
   10 :     1   0  -1     0   1  -1     0   0  -1      0.000000    0.000000    0.000000
   11 :     0   0   1     1   0   0     0   1   0      0.000000   -0.000000    0.000000
   12 :     0  -1   0     0  -1   1     1  -1   0     -0.000000    0.000000    0.000000
   13 :     1  -1   0     0  -1   1     0  -1   0      0.000000    0.000000    0.000000
   14 :     0   1   0     1   0   0     0   0   1      0.000000   -0.000000    0.000000
   15 :     0   0  -1     0   1  -1     1   0  -1     -0.000000    0.000000    0.000000
   16 :    -1   0   1    -1   0   0    -1   1   0      0.000000   -0.000000    0.000000
   17 :     0  -1   0     1  -1   0     0  -1   1      0.000000    0.000000    0.000000
   18 :     0   1  -1     0   0  -1     1   0  -1     -0.000000    0.000000    0.000000
   19 :    -1   0   1    -1   1   0    -1   0   0      0.000000   -0.000000    0.000000
   20 :     1   0   0     0   0   1     0   1   0      0.000000   -0.000000    0.000000
   21 :     0   1   0     0   0   1     1   0   0     -0.000000    0.000000    0.000000
   22 :    -1   0   0    -1   1   0    -1   0   1      0.000000    0.000000    0.000000
   23 :     1   0  -1     0   0  -1     0   1  -1      0.000000   -0.000000    0.000000
   24 :     0  -1   1     1  -1   0     0  -1   0      0.000000   -0.000000    0.000000
Info: The system has    24 symmetries that can be used.
**********************************************************************


********************** Brillouin zone sampling ***********************
Dimensions of the k-point grid      =  6  6  6
Total number of k-points            = 216
Number of symmetry-reduced k-points = 216

List of k-points:
      ik         k_x         k_y         k_z      Weight
---------------------------------------------------------
       1      0.0000      0.0000      0.0000      0.0046
       2      0.1667      0.0000      0.0000      0.0046
       3      0.0000      0.1667      0.0000      0.0046
       4     -0.1667      0.0000      0.0000      0.0046
       5      0.0000     -0.1667      0.0000      0.0046
       6      0.0000      0.0000      0.1667      0.0046
       7      0.0000      0.0000     -0.1667      0.0046
       8      0.1667      0.1667      0.0000      0.0046
       9     -0.1667      0.1667      0.0000      0.0046
      10      0.1667     -0.1667      0.0000      0.0046
      11      0.1667      0.0000      0.1667      0.0046
      12     -0.1667      0.0000      0.1667      0.0046
      13     -0.1667     -0.1667      0.0000      0.0046
      14      0.0000      0.1667      0.1667      0.0046
      15      0.0000     -0.1667      0.1667      0.0046
      16      0.1667      0.0000     -0.1667      0.0046
      17     -0.1667      0.0000     -0.1667      0.0046
      18      0.0000      0.1667     -0.1667      0.0046
      19      0.0000     -0.1667     -0.1667      0.0046
      20      0.1667      0.1667      0.1667      0.0046
      21     -0.1667      0.1667      0.1667      0.0046
      22      0.1667     -0.1667      0.1667      0.0046
      23     -0.1667     -0.1667      0.1667      0.0046
      24      0.1667      0.1667     -0.1667      0.0046
      25     -0.1667      0.1667     -0.1667      0.0046
      26      0.1667     -0.1667     -0.1667      0.0046
      27     -0.1667     -0.1667     -0.1667      0.0046
      28      0.3333      0.0000      0.0000      0.0046
      29     -0.3333      0.0000      0.0000      0.0046
      30      0.0000      0.3333      0.0000      0.0046
      31      0.0000     -0.3333      0.0000      0.0046
      32      0.0000      0.0000      0.3333      0.0046
      33      0.0000      0.0000     -0.3333      0.0046
      34      0.3333      0.1667      0.0000      0.0046
      35     -0.3333      0.1667      0.0000      0.0046
      36      0.1667      0.3333      0.0000      0.0046
      37     -0.1667      0.3333      0.0000      0.0046
      38      0.1667     -0.3333      0.0000      0.0046
      39     -0.1667     -0.3333      0.0000      0.0046
      40      0.3333     -0.1667      0.0000      0.0046
      41      0.3333      0.0000      0.1667      0.0046
      42     -0.3333      0.0000      0.1667      0.0046
      43     -0.3333     -0.1667      0.0000      0.0046
      44      0.0000      0.3333      0.1667      0.0046
      45      0.0000     -0.3333      0.1667      0.0046
      46      0.1667      0.0000      0.3333      0.0046
      47     -0.1667      0.0000      0.3333      0.0046
      48      0.0000      0.1667      0.3333      0.0046
      49      0.0000     -0.1667      0.3333      0.0046
      50      0.1667      0.0000     -0.3333      0.0046
      51      0.0000      0.1667     -0.3333      0.0046
      52     -0.1667      0.0000     -0.3333      0.0046
      53      0.0000     -0.1667     -0.3333      0.0046
      54      0.3333      0.0000     -0.1667      0.0046
      55     -0.3333      0.0000     -0.1667      0.0046
      56      0.0000      0.3333     -0.1667      0.0046
      57      0.0000     -0.3333     -0.1667      0.0046
      58      0.3333      0.1667      0.1667      0.0046
      59     -0.3333      0.1667      0.1667      0.0046
      60      0.1667      0.3333      0.1667      0.0046
      61     -0.1667      0.3333      0.1667      0.0046
      62      0.1667     -0.3333      0.1667      0.0046
      63     -0.1667     -0.3333      0.1667      0.0046
      64      0.3333     -0.1667      0.1667      0.0046
      65     -0.3333     -0.1667      0.1667      0.0046
      66      0.1667      0.1667      0.3333      0.0046
      67     -0.1667      0.1667      0.3333      0.0046
      68      0.1667     -0.1667      0.3333      0.0046
      69     -0.1667     -0.1667      0.3333      0.0046
      70      0.1667      0.1667     -0.3333      0.0046
      71     -0.1667      0.1667     -0.3333      0.0046
      72      0.1667     -0.1667     -0.3333      0.0046
      73     -0.1667     -0.1667     -0.3333      0.0046
      74      0.3333      0.1667     -0.1667      0.0046
      75     -0.3333      0.1667     -0.1667      0.0046
      76      0.1667      0.3333     -0.1667      0.0046
      77     -0.1667      0.3333     -0.1667      0.0046
      78      0.1667     -0.3333     -0.1667      0.0046
      79     -0.1667     -0.3333     -0.1667      0.0046
      80      0.3333     -0.1667     -0.1667      0.0046
      81     -0.3333     -0.1667     -0.1667      0.0046
      82      0.3333      0.3333      0.0000      0.0046
      83     -0.3333      0.3333      0.0000      0.0046
      84      0.3333     -0.3333      0.0000      0.0046
      85     -0.3333     -0.3333      0.0000      0.0046
      86      0.3333      0.0000      0.3333      0.0046
      87     -0.3333      0.0000      0.3333      0.0046
      88      0.0000      0.3333      0.3333      0.0046
      89      0.0000     -0.3333      0.3333      0.0046
      90      0.3333      0.0000     -0.3333      0.0046
      91     -0.3333      0.0000     -0.3333      0.0046
      92      0.0000      0.3333     -0.3333      0.0046
      93      0.0000     -0.3333     -0.3333      0.0046
      94      0.5000      0.0000      0.0000      0.0046
      95      0.0000      0.5000      0.0000      0.0046
      96      0.3333      0.3333      0.1667      0.0046
      97     -0.3333      0.3333      0.1667      0.0046
      98      0.3333     -0.3333      0.1667      0.0046
      99     -0.3333     -0.3333      0.1667      0.0046
     100      0.3333      0.1667      0.3333      0.0046
     101     -0.3333      0.1667      0.3333      0.0046
     102      0.1667      0.3333      0.3333      0.0046
     103     -0.1667      0.3333      0.3333      0.0046
     104      0.1667     -0.3333      0.3333      0.0046
     105     -0.1667     -0.3333      0.3333      0.0046
     106      0.0000      0.0000      0.5000      0.0046
     107      0.3333     -0.1667      0.3333      0.0046
     108     -0.3333     -0.1667      0.3333      0.0046
     109      0.3333      0.1667     -0.3333      0.0046
     110     -0.3333      0.1667     -0.3333      0.0046
     111      0.1667      0.3333     -0.3333      0.0046
     112     -0.1667      0.3333     -0.3333      0.0046
     113      0.1667     -0.3333     -0.3333      0.0046
     114     -0.1667     -0.3333     -0.3333      0.0046
     115      0.3333     -0.1667     -0.3333      0.0046
     116     -0.3333     -0.1667     -0.3333      0.0046
     117      0.3333      0.3333     -0.1667      0.0046
     118     -0.3333      0.3333     -0.1667      0.0046
     119      0.3333     -0.3333     -0.1667      0.0046
     120     -0.3333     -0.3333     -0.1667      0.0046
     121      0.5000      0.1667      0.0000      0.0046
     122      0.1667      0.5000      0.0000      0.0046
     123     -0.1667      0.5000      0.0000      0.0046
     124      0.5000     -0.1667      0.0000      0.0046
     125      0.5000      0.0000      0.1667      0.0046
     126      0.0000      0.5000      0.1667      0.0046
     127      0.1667      0.0000      0.5000      0.0046
     128     -0.1667      0.0000      0.5000      0.0046
     129      0.0000      0.1667      0.5000      0.0046
     130      0.0000     -0.1667      0.5000      0.0046
     131      0.5000      0.0000     -0.1667      0.0046
     132      0.0000      0.5000     -0.1667      0.0046
     133      0.5000      0.1667      0.1667      0.0046
     134      0.1667      0.5000      0.1667      0.0046
     135     -0.1667      0.5000      0.1667      0.0046
     136      0.5000     -0.1667      0.1667      0.0046
     137      0.1667      0.1667      0.5000      0.0046
     138     -0.1667      0.1667      0.5000      0.0046
     139      0.1667     -0.1667      0.5000      0.0046
     140     -0.1667     -0.1667      0.5000      0.0046
     141      0.5000      0.1667     -0.1667      0.0046
     142      0.1667      0.5000     -0.1667      0.0046
     143     -0.1667      0.5000     -0.1667      0.0046
     144      0.5000     -0.1667     -0.1667      0.0046
     145      0.3333      0.3333      0.3333      0.0046
     146     -0.3333      0.3333      0.3333      0.0046
     147      0.3333     -0.3333      0.3333      0.0046
     148     -0.3333     -0.3333      0.3333      0.0046
     149      0.3333      0.3333     -0.3333      0.0046
     150     -0.3333      0.3333     -0.3333      0.0046
     151      0.3333     -0.3333     -0.3333      0.0046
     152     -0.3333     -0.3333     -0.3333      0.0046
     153      0.5000      0.3333      0.0000      0.0046
     154      0.3333      0.5000      0.0000      0.0046
     155     -0.3333      0.5000      0.0000      0.0046
     156      0.5000     -0.3333      0.0000      0.0046
     157      0.5000      0.0000      0.3333      0.0046
     158      0.0000      0.5000      0.3333      0.0046
     159      0.3333      0.0000      0.5000      0.0046
     160     -0.3333      0.0000      0.5000      0.0046
     161      0.0000      0.3333      0.5000      0.0046
     162      0.0000     -0.3333      0.5000      0.0046
     163      0.5000      0.0000     -0.3333      0.0046
     164      0.0000      0.5000     -0.3333      0.0046
     165      0.5000      0.3333      0.1667      0.0046
     166      0.3333      0.5000      0.1667      0.0046
     167     -0.3333      0.5000      0.1667      0.0046
     168      0.5000     -0.3333      0.1667      0.0046
     169      0.5000      0.1667      0.3333      0.0046
     170      0.1667      0.5000      0.3333      0.0046
     171     -0.1667      0.5000      0.3333      0.0046
     172      0.5000     -0.1667      0.3333      0.0046
     173      0.3333      0.1667      0.5000      0.0046
     174     -0.3333      0.1667      0.5000      0.0046
     175      0.1667      0.3333      0.5000      0.0046
     176     -0.1667      0.3333      0.5000      0.0046
     177      0.1667     -0.3333      0.5000      0.0046
     178     -0.1667     -0.3333      0.5000      0.0046
     179      0.3333     -0.1667      0.5000      0.0046
     180     -0.3333     -0.1667      0.5000      0.0046
     181      0.5000      0.1667     -0.3333      0.0046
     182      0.1667      0.5000     -0.3333      0.0046
     183     -0.1667      0.5000     -0.3333      0.0046
     184      0.5000     -0.1667     -0.3333      0.0046
     185      0.5000      0.3333     -0.1667      0.0046
     186      0.3333      0.5000     -0.1667      0.0046
     187     -0.3333      0.5000     -0.1667      0.0046
     188      0.5000     -0.3333     -0.1667      0.0046
     189      0.5000      0.3333      0.3333      0.0046
     190      0.3333      0.5000      0.3333      0.0046
     191     -0.3333      0.5000      0.3333      0.0046
     192      0.5000     -0.3333      0.3333      0.0046
     193      0.3333      0.3333      0.5000      0.0046
     194     -0.3333      0.3333      0.5000      0.0046
     195      0.3333     -0.3333      0.5000      0.0046
     196     -0.3333     -0.3333      0.5000      0.0046
     197      0.5000      0.3333     -0.3333      0.0046
     198      0.3333      0.5000     -0.3333      0.0046
     199     -0.3333      0.5000     -0.3333      0.0046
     200      0.5000     -0.3333     -0.3333      0.0046
     201      0.5000      0.5000      0.0000      0.0046
     202      0.5000      0.0000      0.5000      0.0046
     203      0.0000      0.5000      0.5000      0.0046
     204      0.5000      0.5000      0.1667      0.0046
     205      0.5000      0.1667      0.5000      0.0046
     206      0.1667      0.5000      0.5000      0.0046
     207     -0.1667      0.5000      0.5000      0.0046
     208      0.5000     -0.1667      0.5000      0.0046
     209      0.5000      0.5000     -0.1667      0.0046
     210      0.5000      0.5000      0.3333      0.0046
     211      0.5000      0.3333      0.5000      0.0046
     212      0.3333      0.5000      0.5000      0.0046
     213     -0.3333      0.5000      0.5000      0.0046
     214      0.5000     -0.3333      0.5000      0.0046
     215      0.5000      0.5000     -0.3333      0.0046
     216      0.5000      0.5000      0.5000      0.0046

**********************************************************************



**************************** Theory Level ****************************
Input: [TheoryLevel = dft]

Exchange-correlation:
  Exchange
    Perdew, Burke & Ernzerhof SOL (GGA)
  Correlation
    Perdew, Burke & Ernzerhof SOL (GGA)

Input: [SICCorrection = sic_none]
**********************************************************************

SCF converged in   75 iterations

Eigenvalues [eV]
 #st  Spin   Eigenvalue      Occupation
#k =   1, k = (  0.000000,  0.000000,  0.000000)
   1   --   -10.162070       2.000000
   2   --     0.789908       2.000000
   3   --     0.796409       2.000000
   4   --     0.796409       2.000000
   5   --     1.872649       0.000000
   6   --     5.649594       0.000000
   7   --     5.650499       0.000000
#k =   2, k = (  0.166667,  0.000000,  0.000000)
   1   --   -10.003316       2.000000
   2   --    -0.915577       2.000000
   3   --     0.585290       2.000000
   4   --     0.590588       2.000000
   5   --     2.964100       0.000000
   6   --     5.802049       0.000000
   7   --     5.994354       0.000000
#k =   3, k = (  0.000000,  0.166667,  0.000000)
   1   --   -10.003316       2.000000
   2   --    -0.915577       2.000000
   3   --     0.585290       2.000000
   4   --     0.590588       2.000000
   5   --     2.964100       0.000000
   6   --     5.802049       0.000000
   7   --     5.994354       0.000000
#k =   4, k = ( -0.166667,  0.000000,  0.000000)
   1   --   -10.003316       2.000000
   2   --    -0.915577       2.000000
   3   --     0.585290       2.000000
   4   --     0.590588       2.000000
   5   --     2.964100       0.000000
   6   --     5.802049       0.000000
   7   --     5.994354       0.000000
#k =   5, k = (  0.000000, -0.166667,  0.000000)
   1   --   -10.003316       2.000000
   2   --    -0.915577       2.000000
   3   --     0.585290       2.000000
   4   --     0.590588       2.000000
   5   --     2.964100       0.000000
   6   --     5.802049       0.000000
   7   --     5.994354       0.000000
#k =   6, k = (  0.000000,  0.000000,  0.166667)
   1   --   -10.003316       2.000000
   2   --    -0.915577       2.000000
   3   --     0.585290       2.000000
   4   --     0.590588       2.000000
   5   --     2.964100       0.000000
   6   --     5.802049       0.000000
   7   --     5.994354       0.000000
#k =   7, k = (  0.000000,  0.000000, -0.166667)
   1   --   -10.003316       2.000000
   2   --    -0.915577       2.000000
   3   --     0.585290       2.000000
   4   --     0.590588       2.000000
   5   --     2.964100       0.000000
   6   --     5.802049       0.000000
   7   --     5.994354       0.000000
#k =   8, k = (  0.166667,  0.166667,  0.000000)
   1   --    -9.949921       2.000000
   2   --    -0.940721       2.000000
   3   --     0.233994       2.000000
   4   --     0.237757       2.000000
   5   --     3.606643       0.000000
   6   --     4.774952       0.000000
   7   --     6.614164       0.000000
#k =   9, k = ( -0.166667,  0.166667,  0.000000)
   1   --    -9.768430       2.000000
   2   --    -1.893074       2.000000
   3   --    -0.376972       2.000000
   4   --     0.483510       2.000000
   5   --     3.795776       0.000000
   6   --     5.739050       0.000000
   7   --     6.247553       0.000000
#k =  10, k = (  0.166667, -0.166667,  0.000000)
   1   --    -9.768430       2.000000
   2   --    -1.893074       2.000000
   3   --    -0.376972       2.000000
   4   --     0.483510       2.000000
   5   --     3.795776       0.000000
   6   --     5.739050       0.000000
   7   --     6.247553       0.000000
#k =  11, k = (  0.166667,  0.000000,  0.166667)
   1   --    -9.949921       2.000000
   2   --    -0.940721       2.000000
   3   --     0.233994       2.000000
   4   --     0.237757       2.000000
   5   --     3.606643       0.000000
   6   --     4.774952       0.000000
   7   --     6.614164       0.000000
#k =  12, k = ( -0.166667,  0.000000,  0.166667)
   1   --    -9.768430       2.000000
   2   --    -1.893074       2.000000
   3   --    -0.376972       2.000000
   4   --     0.483510       2.000000
   5   --     3.795776       0.000000
   6   --     5.739050       0.000000
   7   --     6.247553       0.000000
#k =  13, k = ( -0.166667, -0.166667,  0.000000)
   1   --    -9.949921       2.000000
   2   --    -0.940721       2.000000
   3   --     0.233994       2.000000
   4   --     0.237757       2.000000
   5   --     3.606643       0.000000
   6   --     4.774952       0.000000
   7   --     6.614164       0.000000
#k =  14, k = (  0.000000,  0.166667,  0.166667)
   1   --    -9.949921       2.000000
   2   --    -0.940721       2.000000
   3   --     0.233994       2.000000
   4   --     0.237757       2.000000
   5   --     3.606643       0.000000
   6   --     4.774952       0.000000
   7   --     6.614164       0.000000
#k =  15, k = (  0.000000, -0.166667,  0.166667)
   1   --    -9.768430       2.000000
   2   --    -1.893074       2.000000
   3   --    -0.376972       2.000000
   4   --     0.483510       2.000000
   5   --     3.795776       0.000000
   6   --     5.739050       0.000000
   7   --     6.247553       0.000000
#k =  16, k = (  0.166667,  0.000000, -0.166667)
   1   --    -9.768430       2.000000
   2   --    -1.893074       2.000000
   3   --    -0.376972       2.000000
   4   --     0.483510       2.000000
   5   --     3.795776       0.000000
   6   --     5.739050       0.000000
   7   --     6.247553       0.000000
#k =  17, k = ( -0.166667,  0.000000, -0.166667)
   1   --    -9.949921       2.000000
   2   --    -0.940721       2.000000
   3   --     0.233994       2.000000
   4   --     0.237757       2.000000
   5   --     3.606643       0.000000
   6   --     4.774952       0.000000
   7   --     6.614164       0.000000
#k =  18, k = (  0.000000,  0.166667, -0.166667)
   1   --    -9.768430       2.000000
   2   --    -1.893074       2.000000
   3   --    -0.376972       2.000000
   4   --     0.483510       2.000000
   5   --     3.795776       0.000000
   6   --     5.739050       0.000000
   7   --     6.247553       0.000000
#k =  19, k = (  0.000000, -0.166667, -0.166667)
   1   --    -9.949921       2.000000
   2   --    -0.940721       2.000000
   3   --     0.233994       2.000000
   4   --     0.237757       2.000000
   5   --     3.606643       0.000000
   6   --     4.774952       0.000000
   7   --     6.614164       0.000000
#k =  20, k = (  0.166667,  0.166667,  0.166667)
   1   --   -10.003339       2.000000
   2   --    -0.918346       2.000000
   3   --     0.590906       2.000000
   4   --     0.590906       2.000000
   5   --     2.962399       0.000000
   6   --     5.798629       0.000000
   7   --     5.994823       0.000000
#k =  21, k = ( -0.166667,  0.166667,  0.166667)
   1   --    -9.642272       2.000000
   2   --    -2.289916       2.000000
   3   --    -0.256909       2.000000
   4   --    -0.132586       2.000000
   5   --     3.956441       0.000000
   6   --     5.135305       0.000000
   7   --     6.773549       0.000000
#k =  22, k = (  0.166667, -0.166667,  0.166667)
   1   --    -9.642272       2.000000
   2   --    -2.289916       2.000000
   3   --    -0.256909       2.000000
   4   --    -0.132586       2.000000
   5   --     3.956441       0.000000
   6   --     5.135305       0.000000
   7   --     6.773549       0.000000
#k =  23, k = ( -0.166667, -0.166667,  0.166667)
   1   --    -9.642272       2.000000
   2   --    -2.289916       2.000000
   3   --    -0.256909       2.000000
   4   --    -0.132586       2.000000
   5   --     3.956441       0.000000
   6   --     5.135305       0.000000
   7   --     6.773549       0.000000
#k =  24, k = (  0.166667,  0.166667, -0.166667)
   1   --    -9.642272       2.000000
   2   --    -2.289916       2.000000
   3   --    -0.256909       2.000000
   4   --    -0.132586       2.000000
   5   --     3.956441       0.000000
   6   --     5.135305       0.000000
   7   --     6.773549       0.000000
#k =  25, k = ( -0.166667,  0.166667, -0.166667)
   1   --    -9.642272       2.000000
   2   --    -2.289916       2.000000
   3   --    -0.256909       2.000000
   4   --    -0.132586       2.000000
   5   --     3.956441       0.000000
   6   --     5.135305       0.000000
   7   --     6.773549       0.000000
#k =  26, k = (  0.166667, -0.166667, -0.166667)
   1   --    -9.642272       2.000000
   2   --    -2.289916       2.000000
   3   --    -0.256909       2.000000
   4   --    -0.132586       2.000000
   5   --     3.956441       0.000000
   6   --     5.135305       0.000000
   7   --     6.773549       0.000000
#k =  27, k = ( -0.166667, -0.166667, -0.166667)
   1   --   -10.003339       2.000000
   2   --    -0.918346       2.000000
   3   --     0.590906       2.000000
   4   --     0.590906       2.000000
   5   --     2.962399       0.000000
   6   --     5.798629       0.000000
   7   --     5.994823       0.000000
#k =  28, k = (  0.333333,  0.000000,  0.000000)
   1   --    -9.629829       2.000000
   2   --    -2.698036       2.000000
   3   --     0.243865       2.000000
   4   --     0.248527       2.000000
   5   --     3.008951       0.000000
   6   --     6.261776       0.000000
   7   --     6.265156       0.000000
#k =  29, k = ( -0.333333,  0.000000,  0.000000)
   1   --    -9.629829       2.000000
   2   --    -2.698036       2.000000
   3   --     0.243865       2.000000
   4   --     0.248527       2.000000
   5   --     3.008951       0.000000
   6   --     6.261776       0.000000
   7   --     6.265156       0.000000
#k =  30, k = (  0.000000,  0.333333,  0.000000)
   1   --    -9.629829       2.000000
   2   --    -2.698036       2.000000
   3   --     0.243865       2.000000
   4   --     0.248527       2.000000
   5   --     3.008951       0.000000
   6   --     6.261776       0.000000
   7   --     6.265156       0.000000
#k =  31, k = (  0.000000, -0.333333,  0.000000)
   1   --    -9.629829       2.000000
   2   --    -2.698036       2.000000
   3   --     0.243865       2.000000
   4   --     0.248527       2.000000
   5   --     3.008951       0.000000
   6   --     6.261776       0.000000
   7   --     6.265156       0.000000
#k =  32, k = (  0.000000,  0.000000,  0.333333)
   1   --    -9.629829       2.000000
   2   --    -2.698036       2.000000
   3   --     0.243865       2.000000
   4   --     0.248527       2.000000
   5   --     3.008951       0.000000
   6   --     6.261776       0.000000
   7   --     6.265156       0.000000
#k =  33, k = (  0.000000,  0.000000, -0.333333)
   1   --    -9.629829       2.000000
   2   --    -2.698036       2.000000
   3   --     0.243865       2.000000
   4   --     0.248527       2.000000
   5   --     3.008951       0.000000
   6   --     6.261776       0.000000
   7   --     6.265156       0.000000
#k =  34, k = (  0.333333,  0.166667,  0.000000)
   1   --    -9.642287       2.000000
   2   --    -2.290262       2.000000
   3   --    -0.253084       2.000000
   4   --    -0.135889       2.000000
   5   --     3.957548       0.000000
   6   --     5.135104       0.000000
   7   --     6.774127       0.000000
#k =  35, k = ( -0.333333,  0.166667,  0.000000)
   1   --    -9.419594       2.000000
   2   --    -3.019919       2.000000
   3   --    -0.890602       2.000000
   4   --     0.073030       2.000000
   5   --     3.920651       0.000000
   6   --     6.021687       0.000000
   7   --     6.706400       0.000000
#k =  36, k = (  0.166667,  0.333333,  0.000000)
   1   --    -9.642287       2.000000
   2   --    -2.290262       2.000000
   3   --    -0.253084       2.000000
   4   --    -0.135889       2.000000
   5   --     3.957548       0.000000
   6   --     5.135104       0.000000
   7   --     6.774127       0.000000
#k =  37, k = ( -0.166667,  0.333333,  0.000000)
   1   --    -9.419594       2.000000
   2   --    -3.019919       2.000000
   3   --    -0.890602       2.000000
   4   --     0.073030       2.000000
   5   --     3.920651       0.000000
   6   --     6.021687       0.000000
   7   --     6.706400       0.000000
#k =  38, k = (  0.166667, -0.333333,  0.000000)
   1   --    -9.419594       2.000000
   2   --    -3.019919       2.000000
   3   --    -0.890602       2.000000
   4   --     0.073030       2.000000
   5   --     3.920651       0.000000
   6   --     6.021687       0.000000
   7   --     6.706400       0.000000
#k =  39, k = ( -0.166667, -0.333333,  0.000000)
   1   --    -9.642287       2.000000
   2   --    -2.290262       2.000000
   3   --    -0.253084       2.000000
   4   --    -0.135889       2.000000
   5   --     3.957548       0.000000
   6   --     5.135104       0.000000
   7   --     6.774127       0.000000
#k =  40, k = (  0.333333, -0.166667,  0.000000)
   1   --    -9.419594       2.000000
   2   --    -3.019919       2.000000
   3   --    -0.890602       2.000000
   4   --     0.073030       2.000000
   5   --     3.920651       0.000000
   6   --     6.021687       0.000000
   7   --     6.706400       0.000000
#k =  41, k = (  0.333333,  0.000000,  0.166667)
   1   --    -9.642287       2.000000
   2   --    -2.290262       2.000000
   3   --    -0.253084       2.000000
   4   --    -0.135889       2.000000
   5   --     3.957548       0.000000
   6   --     5.135104       0.000000
   7   --     6.774127       0.000000
#k =  42, k = ( -0.333333,  0.000000,  0.166667)
   1   --    -9.419594       2.000000
   2   --    -3.019919       2.000000
   3   --    -0.890602       2.000000
   4   --     0.073030       2.000000
   5   --     3.920651       0.000000
   6   --     6.021687       0.000000
   7   --     6.706400       0.000000
#k =  43, k = ( -0.333333, -0.166667,  0.000000)
   1   --    -9.642287       2.000000
   2   --    -2.290262       2.000000
   3   --    -0.253084       2.000000
   4   --    -0.135889       2.000000
   5   --     3.957548       0.000000
   6   --     5.135104       0.000000
   7   --     6.774127       0.000000
#k =  44, k = (  0.000000,  0.333333,  0.166667)
   1   --    -9.642287       2.000000
   2   --    -2.290262       2.000000
   3   --    -0.253084       2.000000
   4   --    -0.135889       2.000000
   5   --     3.957548       0.000000
   6   --     5.135104       0.000000
   7   --     6.774127       0.000000
#k =  45, k = (  0.000000, -0.333333,  0.166667)
   1   --    -9.419594       2.000000
   2   --    -3.019919       2.000000
   3   --    -0.890602       2.000000
   4   --     0.073030       2.000000
   5   --     3.920651       0.000000
   6   --     6.021687       0.000000
   7   --     6.706400       0.000000
#k =  46, k = (  0.166667,  0.000000,  0.333333)
   1   --    -9.642287       2.000000
   2   --    -2.290262       2.000000
   3   --    -0.253084       2.000000
   4   --    -0.135889       2.000000
   5   --     3.957548       0.000000
   6   --     5.135104       0.000000
   7   --     6.774127       0.000000
#k =  47, k = ( -0.166667,  0.000000,  0.333333)
   1   --    -9.419594       2.000000
   2   --    -3.019919       2.000000
   3   --    -0.890602       2.000000
   4   --     0.073030       2.000000
   5   --     3.920651       0.000000
   6   --     6.021687       0.000000
   7   --     6.706400       0.000000
#k =  48, k = (  0.000000,  0.166667,  0.333333)
   1   --    -9.642287       2.000000
   2   --    -2.290262       2.000000
   3   --    -0.253084       2.000000
   4   --    -0.135889       2.000000
   5   --     3.957548       0.000000
   6   --     5.135104       0.000000
   7   --     6.774127       0.000000
#k =  49, k = (  0.000000, -0.166667,  0.333333)
   1   --    -9.419594       2.000000
   2   --    -3.019919       2.000000
   3   --    -0.890602       2.000000
   4   --     0.073030       2.000000
   5   --     3.920651       0.000000
   6   --     6.021687       0.000000
   7   --     6.706400       0.000000
#k =  50, k = (  0.166667,  0.000000, -0.333333)
   1   --    -9.419594       2.000000
   2   --    -3.019919       2.000000
   3   --    -0.890602       2.000000
   4   --     0.073030       2.000000
   5   --     3.920651       0.000000
   6   --     6.021687       0.000000
   7   --     6.706400       0.000000
#k =  51, k = (  0.000000,  0.166667, -0.333333)
   1   --    -9.419594       2.000000
   2   --    -3.019919       2.000000
   3   --    -0.890602       2.000000
   4   --     0.073030       2.000000
   5   --     3.920651       0.000000
   6   --     6.021687       0.000000
   7   --     6.706400       0.000000
#k =  52, k = ( -0.166667,  0.000000, -0.333333)
   1   --    -9.642287       2.000000
   2   --    -2.290262       2.000000
   3   --    -0.253084       2.000000
   4   --    -0.135889       2.000000
   5   --     3.957548       0.000000
   6   --     5.135104       0.000000
   7   --     6.774127       0.000000
#k =  53, k = (  0.000000, -0.166667, -0.333333)
   1   --    -9.642287       2.000000
   2   --    -2.290262       2.000000
   3   --    -0.253084       2.000000
   4   --    -0.135889       2.000000
   5   --     3.957548       0.000000
   6   --     5.135104       0.000000
   7   --     6.774127       0.000000
#k =  54, k = (  0.333333,  0.000000, -0.166667)
   1   --    -9.419594       2.000000
   2   --    -3.019919       2.000000
   3   --    -0.890602       2.000000
   4   --     0.073030       2.000000
   5   --     3.920651       0.000000
   6   --     6.021687       0.000000
   7   --     6.706400       0.000000
#k =  55, k = ( -0.333333,  0.000000, -0.166667)
   1   --    -9.642287       2.000000
   2   --    -2.290262       2.000000
   3   --    -0.253084       2.000000
   4   --    -0.135889       2.000000
   5   --     3.957548       0.000000
   6   --     5.135104       0.000000
   7   --     6.774127       0.000000
#k =  56, k = (  0.000000,  0.333333, -0.166667)
   1   --    -9.419594       2.000000
   2   --    -3.019919       2.000000
   3   --    -0.890602       2.000000
   4   --     0.073030       2.000000
   5   --     3.920651       0.000000
   6   --     6.021687       0.000000
   7   --     6.706400       0.000000
#k =  57, k = (  0.000000, -0.333333, -0.166667)
   1   --    -9.642287       2.000000
   2   --    -2.290262       2.000000
   3   --    -0.253084       2.000000
   4   --    -0.135889       2.000000
   5   --     3.957548       0.000000
   6   --     5.135104       0.000000
   7   --     6.774127       0.000000
#k =  58, k = (  0.333333,  0.166667,  0.166667)
   1   --    -9.768469       2.000000
   2   --    -1.894515       2.000000
   3   --    -0.376943       2.000000
   4   --     0.487592       2.000000
   5   --     3.794780       0.000000
   6   --     5.736992       0.000000
   7   --     6.248259       0.000000
#k =  59, k = ( -0.333333,  0.166667,  0.166667)
   1   --    -9.341581       2.000000
   2   --    -3.247197       2.000000
   3   --    -0.764801       2.000000
   4   --    -0.199105       2.000000
   5   --     3.845385       0.000000
   6   --     5.782075       0.000000
   7   --     6.993344       0.000000
#k =  60, k = (  0.166667,  0.333333,  0.166667)
   1   --    -9.768469       2.000000
   2   --    -1.894515       2.000000
   3   --    -0.376943       2.000000
   4   --     0.487592       2.000000
   5   --     3.794780       0.000000
   6   --     5.736992       0.000000
   7   --     6.248259       0.000000
#k =  61, k = ( -0.166667,  0.333333,  0.166667)
   1   --    -9.357417       2.000000
   2   --    -2.889258       2.000000
   3   --    -1.155456       2.000000
   4   --    -0.419554       2.000000
   5   --     4.674446       0.000000
   6   --     5.199135       0.000000
   7   --     6.370927       0.000000
#k =  62, k = (  0.166667, -0.333333,  0.166667)
   1   --    -9.341581       2.000000
   2   --    -3.247197       2.000000
   3   --    -0.764801       2.000000
   4   --    -0.199105       2.000000
   5   --     3.845385       0.000000
   6   --     5.782075       0.000000
   7   --     6.993344       0.000000
#k =  63, k = ( -0.166667, -0.333333,  0.166667)
   1   --    -9.357417       2.000000
   2   --    -2.889258       2.000000
   3   --    -1.155456       2.000000
   4   --    -0.419554       2.000000
   5   --     4.674446       0.000000
   6   --     5.199135       0.000000
   7   --     6.370927       0.000000
#k =  64, k = (  0.333333, -0.166667,  0.166667)
   1   --    -9.357417       2.000000
   2   --    -2.889258       2.000000
   3   --    -1.155456       2.000000
   4   --    -0.419554       2.000000
   5   --     4.674446       0.000000
   6   --     5.199135       0.000000
   7   --     6.370927       0.000000
#k =  65, k = ( -0.333333, -0.166667,  0.166667)
   1   --    -9.357417       2.000000
   2   --    -2.889258       2.000000
   3   --    -1.155456       2.000000
   4   --    -0.419554       2.000000
   5   --     4.674446       0.000000
   6   --     5.199135       0.000000
   7   --     6.370927       0.000000
#k =  66, k = (  0.166667,  0.166667,  0.333333)
   1   --    -9.768469       2.000000
   2   --    -1.894515       2.000000
   3   --    -0.376943       2.000000
   4   --     0.487592       2.000000
   5   --     3.794780       0.000000
   6   --     5.736992       0.000000
   7   --     6.248259       0.000000
#k =  67, k = ( -0.166667,  0.166667,  0.333333)
   1   --    -9.357417       2.000000
   2   --    -2.889258       2.000000
   3   --    -1.155456       2.000000
   4   --    -0.419554       2.000000
   5   --     4.674446       0.000000
   6   --     5.199135       0.000000
   7   --     6.370927       0.000000
#k =  68, k = (  0.166667, -0.166667,  0.333333)
   1   --    -9.357417       2.000000
   2   --    -2.889258       2.000000
   3   --    -1.155456       2.000000
   4   --    -0.419554       2.000000
   5   --     4.674446       0.000000
   6   --     5.199135       0.000000
   7   --     6.370927       0.000000
#k =  69, k = ( -0.166667, -0.166667,  0.333333)
   1   --    -9.341581       2.000000
   2   --    -3.247197       2.000000
   3   --    -0.764801       2.000000
   4   --    -0.199105       2.000000
   5   --     3.845385       0.000000
   6   --     5.782075       0.000000
   7   --     6.993344       0.000000
#k =  70, k = (  0.166667,  0.166667, -0.333333)
   1   --    -9.341581       2.000000
   2   --    -3.247197       2.000000
   3   --    -0.764801       2.000000
   4   --    -0.199105       2.000000
   5   --     3.845385       0.000000
   6   --     5.782075       0.000000
   7   --     6.993344       0.000000
#k =  71, k = ( -0.166667,  0.166667, -0.333333)
   1   --    -9.357417       2.000000
   2   --    -2.889258       2.000000
   3   --    -1.155456       2.000000
   4   --    -0.419554       2.000000
   5   --     4.674446       0.000000
   6   --     5.199135       0.000000
   7   --     6.370927       0.000000
#k =  72, k = (  0.166667, -0.166667, -0.333333)
   1   --    -9.357417       2.000000
   2   --    -2.889258       2.000000
   3   --    -1.155456       2.000000
   4   --    -0.419554       2.000000
   5   --     4.674446       0.000000
   6   --     5.199135       0.000000
   7   --     6.370927       0.000000
#k =  73, k = ( -0.166667, -0.166667, -0.333333)
   1   --    -9.768469       2.000000
   2   --    -1.894515       2.000000
   3   --    -0.376943       2.000000
   4   --     0.487592       2.000000
   5   --     3.794780       0.000000
   6   --     5.736992       0.000000
   7   --     6.248259       0.000000
#k =  74, k = (  0.333333,  0.166667, -0.166667)
   1   --    -9.357417       2.000000
   2   --    -2.889258       2.000000
   3   --    -1.155456       2.000000
   4   --    -0.419554       2.000000
   5   --     4.674446       0.000000
   6   --     5.199135       0.000000
   7   --     6.370927       0.000000
#k =  75, k = ( -0.333333,  0.166667, -0.166667)
   1   --    -9.357417       2.000000
   2   --    -2.889258       2.000000
   3   --    -1.155456       2.000000
   4   --    -0.419554       2.000000
   5   --     4.674446       0.000000
   6   --     5.199135       0.000000
   7   --     6.370927       0.000000
#k =  76, k = (  0.166667,  0.333333, -0.166667)
   1   --    -9.357417       2.000000
   2   --    -2.889258       2.000000
   3   --    -1.155456       2.000000
   4   --    -0.419554       2.000000
   5   --     4.674446       0.000000
   6   --     5.199135       0.000000
   7   --     6.370927       0.000000
#k =  77, k = ( -0.166667,  0.333333, -0.166667)
   1   --    -9.341581       2.000000
   2   --    -3.247197       2.000000
   3   --    -0.764801       2.000000
   4   --    -0.199105       2.000000
   5   --     3.845385       0.000000
   6   --     5.782075       0.000000
   7   --     6.993344       0.000000
#k =  78, k = (  0.166667, -0.333333, -0.166667)
   1   --    -9.357417       2.000000
   2   --    -2.889258       2.000000
   3   --    -1.155456       2.000000
   4   --    -0.419554       2.000000
   5   --     4.674446       0.000000
   6   --     5.199135       0.000000
   7   --     6.370927       0.000000
#k =  79, k = ( -0.166667, -0.333333, -0.166667)
   1   --    -9.768469       2.000000
   2   --    -1.894515       2.000000
   3   --    -0.376943       2.000000
   4   --     0.487592       2.000000
   5   --     3.794780       0.000000
   6   --     5.736992       0.000000
   7   --     6.248259       0.000000
#k =  80, k = (  0.333333, -0.166667, -0.166667)
   1   --    -9.341581       2.000000
   2   --    -3.247197       2.000000
   3   --    -0.764801       2.000000
   4   --    -0.199105       2.000000
   5   --     3.845385       0.000000
   6   --     5.782075       0.000000
   7   --     6.993344       0.000000
#k =  81, k = ( -0.333333, -0.166667, -0.166667)
   1   --    -9.768469       2.000000
   2   --    -1.894515       2.000000
   3   --    -0.376943       2.000000
   4   --     0.487592       2.000000
   5   --     3.794780       0.000000
   6   --     5.736992       0.000000
   7   --     6.248259       0.000000
#k =  82, k = (  0.333333,  0.333333,  0.000000)
   1   --    -9.445021       2.000000
   2   --    -2.655055       2.000000
   3   --    -0.578952       2.000000
   4   --    -0.575733       2.000000
   5   --     3.742798       0.000000
   6   --     4.216494       0.000000
   7   --     8.463878       0.000000
#k =  83, k = ( -0.333333,  0.333333,  0.000000)
   1   --    -9.193718       2.000000
   2   --    -3.165698       2.000000
   3   --    -1.688214       2.000000
   4   --    -0.410576       2.000000
   5   --     4.081354       0.000000
   6   --     6.317075       0.000000
   7   --     7.988798       0.000000
#k =  84, k = (  0.333333, -0.333333,  0.000000)
   1   --    -9.193718       2.000000
   2   --    -3.165698       2.000000
   3   --    -1.688214       2.000000
   4   --    -0.410576       2.000000
   5   --     4.081354       0.000000
   6   --     6.317075       0.000000
   7   --     7.988798       0.000000
#k =  85, k = ( -0.333333, -0.333333,  0.000000)
   1   --    -9.445021       2.000000
   2   --    -2.655055       2.000000
   3   --    -0.578952       2.000000
   4   --    -0.575733       2.000000
   5   --     3.742798       0.000000
   6   --     4.216494       0.000000
   7   --     8.463878       0.000000
#k =  86, k = (  0.333333,  0.000000,  0.333333)
   1   --    -9.445021       2.000000
   2   --    -2.655055       2.000000
   3   --    -0.578952       2.000000
   4   --    -0.575733       2.000000
   5   --     3.742798       0.000000
   6   --     4.216494       0.000000
   7   --     8.463878       0.000000
#k =  87, k = ( -0.333333,  0.000000,  0.333333)
   1   --    -9.193718       2.000000
   2   --    -3.165698       2.000000
   3   --    -1.688214       2.000000
   4   --    -0.410576       2.000000
   5   --     4.081354       0.000000
   6   --     6.317075       0.000000
   7   --     7.988798       0.000000
#k =  88, k = (  0.000000,  0.333333,  0.333333)
   1   --    -9.445021       2.000000
   2   --    -2.655055       2.000000
   3   --    -0.578952       2.000000
   4   --    -0.575733       2.000000
   5   --     3.742798       0.000000
   6   --     4.216494       0.000000
   7   --     8.463878       0.000000
#k =  89, k = (  0.000000, -0.333333,  0.333333)
   1   --    -9.193718       2.000000
   2   --    -3.165698       2.000000
   3   --    -1.688214       2.000000
   4   --    -0.410576       2.000000
   5   --     4.081354       0.000000
   6   --     6.317075       0.000000
   7   --     7.988798       0.000000
#k =  90, k = (  0.333333,  0.000000, -0.333333)
   1   --    -9.193718       2.000000
   2   --    -3.165698       2.000000
   3   --    -1.688214       2.000000
   4   --    -0.410576       2.000000
   5   --     4.081354       0.000000
   6   --     6.317075       0.000000
   7   --     7.988798       0.000000
#k =  91, k = ( -0.333333,  0.000000, -0.333333)
   1   --    -9.445021       2.000000
   2   --    -2.655055       2.000000
   3   --    -0.578952       2.000000
   4   --    -0.575733       2.000000
   5   --     3.742798       0.000000
   6   --     4.216494       0.000000
   7   --     8.463878       0.000000
#k =  92, k = (  0.000000,  0.333333, -0.333333)
   1   --    -9.193718       2.000000
   2   --    -3.165698       2.000000
   3   --    -1.688214       2.000000
   4   --    -0.410576       2.000000
   5   --     4.081354       0.000000
   6   --     6.317075       0.000000
   7   --     7.988798       0.000000
#k =  93, k = (  0.000000, -0.333333, -0.333333)
   1   --    -9.445021       2.000000
   2   --    -2.655055       2.000000
   3   --    -0.578952       2.000000
   4   --    -0.575733       2.000000
   5   --     3.742798       0.000000
   6   --     4.216494       0.000000
   7   --     8.463878       0.000000
#k =  94, k = (  0.500000,  0.000000,  0.000000)
   1   --    -9.402405       2.000000
   2   --    -3.433429       2.000000
   3   --     0.097166       2.000000
   4   --     0.101601       2.000000
   5   --     2.878436       0.000000
   6   --     6.205502       0.000000
   7   --     6.208806       0.000000
#k =  95, k = (  0.000000,  0.500000,  0.000000)
   1   --    -9.402405       2.000000
   2   --    -3.433429       2.000000
   3   --     0.097166       2.000000
   4   --     0.101601       2.000000
   5   --     2.878436       0.000000
   6   --     6.205502       0.000000
   7   --     6.208806       0.000000
#k =  96, k = (  0.333333,  0.333333,  0.166667)
   1   --    -9.642326       2.000000
   2   --    -2.291652       2.000000
   3   --    -0.253400       2.000000
   4   --    -0.132185       2.000000
   5   --     3.956875       0.000000
   6   --     5.134512       0.000000
   7   --     6.771313       0.000000
#k =  97, k = ( -0.333333,  0.333333,  0.166667)
   1   --    -9.193694       2.000000
   2   --    -3.197425       2.000000
   3   --    -1.475285       2.000000
   4   --    -0.680017       2.000000
   5   --     4.795125       0.000000
   6   --     5.689306       0.000000
   7   --     6.895357       0.000000
#k =  98, k = (  0.333333, -0.333333,  0.166667)
   1   --    -9.193694       2.000000
   2   --    -3.197425       2.000000
   3   --    -1.475285       2.000000
   4   --    -0.680017       2.000000
   5   --     4.795125       0.000000
   6   --     5.689306       0.000000
   7   --     6.895357       0.000000
#k =  99, k = ( -0.333333, -0.333333,  0.166667)
   1   --    -9.206476       2.000000
   2   --    -3.182659       2.000000
   3   --    -1.223089       2.000000
   4   --    -0.691735       2.000000
   5   --     3.831771       0.000000
   6   --     4.767354       0.000000
   7   --     8.094556       0.000000
#k = 100, k = (  0.333333,  0.166667,  0.333333)
   1   --    -9.642326       2.000000
   2   --    -2.291652       2.000000
   3   --    -0.253400       2.000000
   4   --    -0.132185       2.000000
   5   --     3.956875       0.000000
   6   --     5.134512       0.000000
   7   --     6.771313       0.000000
#k = 101, k = ( -0.333333,  0.166667,  0.333333)
   1   --    -9.193694       2.000000
   2   --    -3.197425       2.000000
   3   --    -1.475285       2.000000
   4   --    -0.680017       2.000000
   5   --     4.795125       0.000000
   6   --     5.689306       0.000000
   7   --     6.895357       0.000000
#k = 102, k = (  0.166667,  0.333333,  0.333333)
   1   --    -9.642326       2.000000
   2   --    -2.291652       2.000000
   3   --    -0.253400       2.000000
   4   --    -0.132185       2.000000
   5   --     3.956875       0.000000
   6   --     5.134512       0.000000
   7   --     6.771313       0.000000
#k = 103, k = ( -0.166667,  0.333333,  0.333333)
   1   --    -9.206476       2.000000
   2   --    -3.182659       2.000000
   3   --    -1.223089       2.000000
   4   --    -0.691735       2.000000
   5   --     3.831771       0.000000
   6   --     4.767354       0.000000
   7   --     8.094556       0.000000
#k = 104, k = (  0.166667, -0.333333,  0.333333)
   1   --    -9.193694       2.000000
   2   --    -3.197425       2.000000
   3   --    -1.475285       2.000000
   4   --    -0.680017       2.000000
   5   --     4.795125       0.000000
   6   --     5.689306       0.000000
   7   --     6.895357       0.000000
#k = 105, k = ( -0.166667, -0.333333,  0.333333)
   1   --    -9.193694       2.000000
   2   --    -3.197425       2.000000
   3   --    -1.475285       2.000000
   4   --    -0.680017       2.000000
   5   --     4.795125       0.000000
   6   --     5.689306       0.000000
   7   --     6.895357       0.000000
#k = 106, k = (  0.000000,  0.000000,  0.500000)
   1   --    -9.402405       2.000000
   2   --    -3.433429       2.000000
   3   --     0.097166       2.000000
   4   --     0.101601       2.000000
   5   --     2.878436       0.000000
   6   --     6.205502       0.000000
   7   --     6.208806       0.000000
#k = 107, k = (  0.333333, -0.166667,  0.333333)
   1   --    -9.206476       2.000000
   2   --    -3.182659       2.000000
   3   --    -1.223089       2.000000
   4   --    -0.691735       2.000000
   5   --     3.831771       0.000000
   6   --     4.767354       0.000000
   7   --     8.094556       0.000000
#k = 108, k = ( -0.333333, -0.166667,  0.333333)
   1   --    -9.193694       2.000000
   2   --    -3.197425       2.000000
   3   --    -1.475285       2.000000
   4   --    -0.680017       2.000000
   5   --     4.795125       0.000000
   6   --     5.689306       0.000000
   7   --     6.895357       0.000000
#k = 109, k = (  0.333333,  0.166667, -0.333333)
   1   --    -9.193694       2.000000
   2   --    -3.197425       2.000000
   3   --    -1.475285       2.000000
   4   --    -0.680017       2.000000
   5   --     4.795125       0.000000
   6   --     5.689306       0.000000
   7   --     6.895357       0.000000
#k = 110, k = ( -0.333333,  0.166667, -0.333333)
   1   --    -9.206476       2.000000
   2   --    -3.182659       2.000000
   3   --    -1.223089       2.000000
   4   --    -0.691735       2.000000
   5   --     3.831771       0.000000
   6   --     4.767354       0.000000
   7   --     8.094556       0.000000
#k = 111, k = (  0.166667,  0.333333, -0.333333)
   1   --    -9.193694       2.000000
   2   --    -3.197425       2.000000
   3   --    -1.475285       2.000000
   4   --    -0.680017       2.000000
   5   --     4.795125       0.000000
   6   --     5.689306       0.000000
   7   --     6.895357       0.000000
#k = 112, k = ( -0.166667,  0.333333, -0.333333)
   1   --    -9.193694       2.000000
   2   --    -3.197425       2.000000
   3   --    -1.475285       2.000000
   4   --    -0.680017       2.000000
   5   --     4.795125       0.000000
   6   --     5.689306       0.000000
   7   --     6.895357       0.000000
#k = 113, k = (  0.166667, -0.333333, -0.333333)
   1   --    -9.206476       2.000000
   2   --    -3.182659       2.000000
   3   --    -1.223089       2.000000
   4   --    -0.691735       2.000000
   5   --     3.831771       0.000000
   6   --     4.767354       0.000000
   7   --     8.094556       0.000000
#k = 114, k = ( -0.166667, -0.333333, -0.333333)
   1   --    -9.642326       2.000000
   2   --    -2.291652       2.000000
   3   --    -0.253400       2.000000
   4   --    -0.132185       2.000000
   5   --     3.956875       0.000000
   6   --     5.134512       0.000000
   7   --     6.771313       0.000000
#k = 115, k = (  0.333333, -0.166667, -0.333333)
   1   --    -9.193694       2.000000
   2   --    -3.197425       2.000000
   3   --    -1.475285       2.000000
   4   --    -0.680017       2.000000
   5   --     4.795125       0.000000
   6   --     5.689306       0.000000
   7   --     6.895357       0.000000
#k = 116, k = ( -0.333333, -0.166667, -0.333333)
   1   --    -9.642326       2.000000
   2   --    -2.291652       2.000000
   3   --    -0.253400       2.000000
   4   --    -0.132185       2.000000
   5   --     3.956875       0.000000
   6   --     5.134512       0.000000
   7   --     6.771313       0.000000
#k = 117, k = (  0.333333,  0.333333, -0.166667)
   1   --    -9.206476       2.000000
   2   --    -3.182659       2.000000
   3   --    -1.223089       2.000000
   4   --    -0.691735       2.000000
   5   --     3.831771       0.000000
   6   --     4.767354       0.000000
   7   --     8.094556       0.000000
#k = 118, k = ( -0.333333,  0.333333, -0.166667)
   1   --    -9.193694       2.000000
   2   --    -3.197425       2.000000
   3   --    -1.475285       2.000000
   4   --    -0.680017       2.000000
   5   --     4.795125       0.000000
   6   --     5.689306       0.000000
   7   --     6.895357       0.000000
#k = 119, k = (  0.333333, -0.333333, -0.166667)
   1   --    -9.193694       2.000000
   2   --    -3.197425       2.000000
   3   --    -1.475285       2.000000
   4   --    -0.680017       2.000000
   5   --     4.795125       0.000000
   6   --     5.689306       0.000000
   7   --     6.895357       0.000000
#k = 120, k = ( -0.333333, -0.333333, -0.166667)
   1   --    -9.642326       2.000000
   2   --    -2.291652       2.000000
   3   --    -0.253400       2.000000
   4   --    -0.132185       2.000000
   5   --     3.956875       0.000000
   6   --     5.134512       0.000000
   7   --     6.771313       0.000000
#k = 121, k = (  0.500000,  0.166667,  0.000000)
   1   --    -9.341583       2.000000
   2   --    -3.247255       2.000000
   3   --    -0.762230       2.000000
   4   --    -0.202329       2.000000
   5   --     3.846484       0.000000
   6   --     5.784500       0.000000
   7   --     6.990730       0.000000
#k = 122, k = (  0.166667,  0.500000,  0.000000)
   1   --    -9.341583       2.000000
   2   --    -3.247255       2.000000
   3   --    -0.762230       2.000000
   4   --    -0.202329       2.000000
   5   --     3.846484       0.000000
   6   --     5.784500       0.000000
   7   --     6.990730       0.000000
#k = 123, k = ( -0.166667,  0.500000,  0.000000)
   1   --    -9.341583       2.000000
   2   --    -3.247255       2.000000
   3   --    -0.762230       2.000000
   4   --    -0.202329       2.000000
   5   --     3.846484       0.000000
   6   --     5.784500       0.000000
   7   --     6.990730       0.000000
#k = 124, k = (  0.500000, -0.166667,  0.000000)
   1   --    -9.341583       2.000000
   2   --    -3.247255       2.000000
   3   --    -0.762230       2.000000
   4   --    -0.202329       2.000000
   5   --     3.846484       0.000000
   6   --     5.784500       0.000000
   7   --     6.990730       0.000000
#k = 125, k = (  0.500000,  0.000000,  0.166667)
   1   --    -9.341583       2.000000
   2   --    -3.247255       2.000000
   3   --    -0.762230       2.000000
   4   --    -0.202329       2.000000
   5   --     3.846484       0.000000
   6   --     5.784500       0.000000
   7   --     6.990730       0.000000
#k = 126, k = (  0.000000,  0.500000,  0.166667)
   1   --    -9.341583       2.000000
   2   --    -3.247255       2.000000
   3   --    -0.762230       2.000000
   4   --    -0.202329       2.000000
   5   --     3.846484       0.000000
   6   --     5.784500       0.000000
   7   --     6.990730       0.000000
#k = 127, k = (  0.166667,  0.000000,  0.500000)
   1   --    -9.341583       2.000000
   2   --    -3.247255       2.000000
   3   --    -0.762230       2.000000
   4   --    -0.202329       2.000000
   5   --     3.846484       0.000000
   6   --     5.784500       0.000000
   7   --     6.990730       0.000000
#k = 128, k = ( -0.166667,  0.000000,  0.500000)
   1   --    -9.341583       2.000000
   2   --    -3.247255       2.000000
   3   --    -0.762230       2.000000
   4   --    -0.202329       2.000000
   5   --     3.846484       0.000000
   6   --     5.784500       0.000000
   7   --     6.990730       0.000000
#k = 129, k = (  0.000000,  0.166667,  0.500000)
   1   --    -9.341583       2.000000
   2   --    -3.247255       2.000000
   3   --    -0.762230       2.000000
   4   --    -0.202329       2.000000
   5   --     3.846484       0.000000
   6   --     5.784500       0.000000
   7   --     6.990730       0.000000
#k = 130, k = (  0.000000, -0.166667,  0.500000)
   1   --    -9.341583       2.000000
   2   --    -3.247255       2.000000
   3   --    -0.762230       2.000000
   4   --    -0.202329       2.000000
   5   --     3.846484       0.000000
   6   --     5.784500       0.000000
   7   --     6.990730       0.000000
#k = 131, k = (  0.500000,  0.000000, -0.166667)
   1   --    -9.341583       2.000000
   2   --    -3.247255       2.000000
   3   --    -0.762230       2.000000
   4   --    -0.202329       2.000000
   5   --     3.846484       0.000000
   6   --     5.784500       0.000000
   7   --     6.990730       0.000000
#k = 132, k = (  0.000000,  0.500000, -0.166667)
   1   --    -9.341583       2.000000
   2   --    -3.247255       2.000000
   3   --    -0.762230       2.000000
   4   --    -0.202329       2.000000
   5   --     3.846484       0.000000
   6   --     5.784500       0.000000
   7   --     6.990730       0.000000
#k = 133, k = (  0.500000,  0.166667,  0.166667)
   1   --    -9.419624       2.000000
   2   --    -3.020159       2.000000
   3   --    -0.892263       2.000000
   4   --     0.076543       2.000000
   5   --     3.919587       0.000000
   6   --     6.018479       0.000000
   7   --     6.708575       0.000000
#k = 134, k = (  0.166667,  0.500000,  0.166667)
   1   --    -9.419624       2.000000
   2   --    -3.020159       2.000000
   3   --    -0.892263       2.000000
   4   --     0.076543       2.000000
   5   --     3.919587       0.000000
   6   --     6.018479       0.000000
   7   --     6.708575       0.000000
#k = 135, k = ( -0.166667,  0.500000,  0.166667)
   1   --    -9.193679       2.000000
   2   --    -3.197345       2.000000
   3   --    -1.473851       2.000000
   4   --    -0.682240       2.000000
   5   --     4.795075       0.000000
   6   --     5.691194       0.000000
   7   --     6.895931       0.000000
#k = 136, k = (  0.500000, -0.166667,  0.166667)
   1   --    -9.193679       2.000000
   2   --    -3.197345       2.000000
   3   --    -1.473851       2.000000
   4   --    -0.682240       2.000000
   5   --     4.795075       0.000000
   6   --     5.691194       0.000000
   7   --     6.895931       0.000000
#k = 137, k = (  0.166667,  0.166667,  0.500000)
   1   --    -9.419624       2.000000
   2   --    -3.020159       2.000000
   3   --    -0.892263       2.000000
   4   --     0.076543       2.000000
   5   --     3.919587       0.000000
   6   --     6.018479       0.000000
   7   --     6.708575       0.000000
#k = 138, k = ( -0.166667,  0.166667,  0.500000)
   1   --    -9.193679       2.000000
   2   --    -3.197345       2.000000
   3   --    -1.473851       2.000000
   4   --    -0.682240       2.000000
   5   --     4.795075       0.000000
   6   --     5.691194       0.000000
   7   --     6.895931       0.000000
#k = 139, k = (  0.166667, -0.166667,  0.500000)
   1   --    -9.193679       2.000000
   2   --    -3.197345       2.000000
   3   --    -1.473851       2.000000
   4   --    -0.682240       2.000000
   5   --     4.795075       0.000000
   6   --     5.691194       0.000000
   7   --     6.895931       0.000000
#k = 140, k = ( -0.166667, -0.166667,  0.500000)
   1   --    -9.419624       2.000000
   2   --    -3.020159       2.000000
   3   --    -0.892263       2.000000
   4   --     0.076543       2.000000
   5   --     3.919587       0.000000
   6   --     6.018479       0.000000
   7   --     6.708575       0.000000
#k = 141, k = (  0.500000,  0.166667, -0.166667)
   1   --    -9.193679       2.000000
   2   --    -3.197345       2.000000
   3   --    -1.473851       2.000000
   4   --    -0.682240       2.000000
   5   --     4.795075       0.000000
   6   --     5.691194       0.000000
   7   --     6.895931       0.000000
#k = 142, k = (  0.166667,  0.500000, -0.166667)
   1   --    -9.193679       2.000000
   2   --    -3.197345       2.000000
   3   --    -1.473851       2.000000
   4   --    -0.682240       2.000000
   5   --     4.795075       0.000000
   6   --     5.691194       0.000000
   7   --     6.895931       0.000000
#k = 143, k = ( -0.166667,  0.500000, -0.166667)
   1   --    -9.419624       2.000000
   2   --    -3.020159       2.000000
   3   --    -0.892263       2.000000
   4   --     0.076543       2.000000
   5   --     3.919587       0.000000
   6   --     6.018479       0.000000
   7   --     6.708575       0.000000
#k = 144, k = (  0.500000, -0.166667, -0.166667)
   1   --    -9.419624       2.000000
   2   --    -3.020159       2.000000
   3   --    -0.892263       2.000000
   4   --     0.076543       2.000000
   5   --     3.919587       0.000000
   6   --     6.018479       0.000000
   7   --     6.708575       0.000000
#k = 145, k = (  0.333333,  0.333333,  0.333333)
   1   --    -9.629906       2.000000
   2   --    -2.699856       2.000000
   3   --     0.249290       2.000000
   4   --     0.249290       2.000000
   5   --     3.007765       0.000000
   6   --     6.261062       0.000000
   7   --     6.261062       0.000000
#k = 146, k = ( -0.333333,  0.333333,  0.333333)
   1   --    -9.193762       2.000000
   2   --    -3.166275       2.000000
   3   --    -1.689151       2.000000
   4   --    -0.407210       2.000000
   5   --     4.080069       0.000000
   6   --     6.314590       0.000000
   7   --     7.985914       0.000000
#k = 147, k = (  0.333333, -0.333333,  0.333333)
   1   --    -9.193762       2.000000
   2   --    -3.166275       2.000000
   3   --    -1.689151       2.000000
   4   --    -0.407210       2.000000
   5   --     4.080069       0.000000
   6   --     6.314590       0.000000
   7   --     7.985914       0.000000
#k = 148, k = ( -0.333333, -0.333333,  0.333333)
   1   --    -9.193762       2.000000
   2   --    -3.166275       2.000000
   3   --    -1.689151       2.000000
   4   --    -0.407210       2.000000
   5   --     4.080069       0.000000
   6   --     6.314590       0.000000
   7   --     7.985914       0.000000
#k = 149, k = (  0.333333,  0.333333, -0.333333)
   1   --    -9.193762       2.000000
   2   --    -3.166275       2.000000
   3   --    -1.689151       2.000000
   4   --    -0.407210       2.000000
   5   --     4.080069       0.000000
   6   --     6.314590       0.000000
   7   --     7.985914       0.000000
#k = 150, k = ( -0.333333,  0.333333, -0.333333)
   1   --    -9.193762       2.000000
   2   --    -3.166275       2.000000
   3   --    -1.689151       2.000000
   4   --    -0.407210       2.000000
   5   --     4.080069       0.000000
   6   --     6.314590       0.000000
   7   --     7.985914       0.000000
#k = 151, k = (  0.333333, -0.333333, -0.333333)
   1   --    -9.193762       2.000000
   2   --    -3.166275       2.000000
   3   --    -1.689151       2.000000
   4   --    -0.407210       2.000000
   5   --     4.080069       0.000000
   6   --     6.314590       0.000000
   7   --     7.985914       0.000000
#k = 152, k = ( -0.333333, -0.333333, -0.333333)
   1   --    -9.629906       2.000000
   2   --    -2.699856       2.000000
   3   --     0.249290       2.000000
   4   --     0.249290       2.000000
   5   --     3.007765       0.000000
   6   --     6.261062       0.000000
   7   --     6.261062       0.000000
#k = 153, k = (  0.500000,  0.333333,  0.000000)
   1   --    -9.206479       2.000000
   2   --    -3.182780       2.000000
   3   --    -1.220424       2.000000
   4   --    -0.694834       2.000000
   5   --     3.833033       0.000000
   6   --     4.767341       0.000000
   7   --     8.096647       0.000000
#k = 154, k = (  0.333333,  0.500000,  0.000000)
   1   --    -9.206479       2.000000
   2   --    -3.182780       2.000000
   3   --    -1.220424       2.000000
   4   --    -0.694834       2.000000
   5   --     3.833033       0.000000
   6   --     4.767341       0.000000
   7   --     8.096647       0.000000
#k = 155, k = ( -0.333333,  0.500000,  0.000000)
   1   --    -9.206479       2.000000
   2   --    -3.182780       2.000000
   3   --    -1.220424       2.000000
   4   --    -0.694834       2.000000
   5   --     3.833033       0.000000
   6   --     4.767341       0.000000
   7   --     8.096647       0.000000
#k = 156, k = (  0.500000, -0.333333,  0.000000)
   1   --    -9.206479       2.000000
   2   --    -3.182780       2.000000
   3   --    -1.220424       2.000000
   4   --    -0.694834       2.000000
   5   --     3.833033       0.000000
   6   --     4.767341       0.000000
   7   --     8.096647       0.000000
#k = 157, k = (  0.500000,  0.000000,  0.333333)
   1   --    -9.206479       2.000000
   2   --    -3.182780       2.000000
   3   --    -1.220424       2.000000
   4   --    -0.694834       2.000000
   5   --     3.833033       0.000000
   6   --     4.767341       0.000000
   7   --     8.096647       0.000000
#k = 158, k = (  0.000000,  0.500000,  0.333333)
   1   --    -9.206479       2.000000
   2   --    -3.182780       2.000000
   3   --    -1.220424       2.000000
   4   --    -0.694834       2.000000
   5   --     3.833033       0.000000
   6   --     4.767341       0.000000
   7   --     8.096647       0.000000
#k = 159, k = (  0.333333,  0.000000,  0.500000)
   1   --    -9.206479       2.000000
   2   --    -3.182780       2.000000
   3   --    -1.220424       2.000000
   4   --    -0.694834       2.000000
   5   --     3.833033       0.000000
   6   --     4.767341       0.000000
   7   --     8.096647       0.000000
#k = 160, k = ( -0.333333,  0.000000,  0.500000)
   1   --    -9.206479       2.000000
   2   --    -3.182780       2.000000
   3   --    -1.220424       2.000000
   4   --    -0.694834       2.000000
   5   --     3.833033       0.000000
   6   --     4.767341       0.000000
   7   --     8.096647       0.000000
#k = 161, k = (  0.000000,  0.333333,  0.500000)
   1   --    -9.206479       2.000000
   2   --    -3.182780       2.000000
   3   --    -1.220424       2.000000
   4   --    -0.694834       2.000000
   5   --     3.833033       0.000000
   6   --     4.767341       0.000000
   7   --     8.096647       0.000000
#k = 162, k = (  0.000000, -0.333333,  0.500000)
   1   --    -9.206479       2.000000
   2   --    -3.182780       2.000000
   3   --    -1.220424       2.000000
   4   --    -0.694834       2.000000
   5   --     3.833033       0.000000
   6   --     4.767341       0.000000
   7   --     8.096647       0.000000
#k = 163, k = (  0.500000,  0.000000, -0.333333)
   1   --    -9.206479       2.000000
   2   --    -3.182780       2.000000
   3   --    -1.220424       2.000000
   4   --    -0.694834       2.000000
   5   --     3.833033       0.000000
   6   --     4.767341       0.000000
   7   --     8.096647       0.000000
#k = 164, k = (  0.000000,  0.500000, -0.333333)
   1   --    -9.206479       2.000000
   2   --    -3.182780       2.000000
   3   --    -1.220424       2.000000
   4   --    -0.694834       2.000000
   5   --     3.833033       0.000000
   6   --     4.767341       0.000000
   7   --     8.096647       0.000000
#k = 165, k = (  0.500000,  0.333333,  0.166667)
   1   --    -9.357462       2.000000
   2   --    -2.890062       2.000000
   3   --    -1.155692       2.000000
   4   --    -0.417111       2.000000
   5   --     4.674682       0.000000
   6   --     5.198341       0.000000
   7   --     6.369747       0.000000
#k = 166, k = (  0.333333,  0.500000,  0.166667)
   1   --    -9.357462       2.000000
   2   --    -2.890062       2.000000
   3   --    -1.155692       2.000000
   4   --    -0.417111       2.000000
   5   --     4.674682       0.000000
   6   --     5.198341       0.000000
   7   --     6.369747       0.000000
#k = 167, k = ( -0.333333,  0.500000,  0.166667)
   1   --    -9.120007       2.000000
   2   --    -3.256425       2.000000
   3   --    -1.312922       2.000000
   4   --    -1.144006       2.000000
   5   --     4.796507       0.000000
   6   --     4.797209       0.000000
   7   --     7.814650       0.000000
#k = 168, k = (  0.500000, -0.333333,  0.166667)
   1   --    -9.120007       2.000000
   2   --    -3.256425       2.000000
   3   --    -1.312922       2.000000
   4   --    -1.144006       2.000000
   5   --     4.796507       0.000000
   6   --     4.797209       0.000000
   7   --     7.814650       0.000000
#k = 169, k = (  0.500000,  0.166667,  0.333333)
   1   --    -9.357462       2.000000
   2   --    -2.890062       2.000000
   3   --    -1.155692       2.000000
   4   --    -0.417111       2.000000
   5   --     4.674682       0.000000
   6   --     5.198341       0.000000
   7   --     6.369747       0.000000
#k = 170, k = (  0.166667,  0.500000,  0.333333)
   1   --    -9.357462       2.000000
   2   --    -2.890062       2.000000
   3   --    -1.155692       2.000000
   4   --    -0.417111       2.000000
   5   --     4.674682       0.000000
   6   --     5.198341       0.000000
   7   --     6.369747       0.000000
#k = 171, k = ( -0.166667,  0.500000,  0.333333)
   1   --    -9.120007       2.000000
   2   --    -3.256425       2.000000
   3   --    -1.312922       2.000000
   4   --    -1.144006       2.000000
   5   --     4.796507       0.000000
   6   --     4.797209       0.000000
   7   --     7.814650       0.000000
#k = 172, k = (  0.500000, -0.166667,  0.333333)
   1   --    -9.120007       2.000000
   2   --    -3.256425       2.000000
   3   --    -1.312922       2.000000
   4   --    -1.144006       2.000000
   5   --     4.796507       0.000000
   6   --     4.797209       0.000000
   7   --     7.814650       0.000000
#k = 173, k = (  0.333333,  0.166667,  0.500000)
   1   --    -9.357462       2.000000
   2   --    -2.890062       2.000000
   3   --    -1.155692       2.000000
   4   --    -0.417111       2.000000
   5   --     4.674682       0.000000
   6   --     5.198341       0.000000
   7   --     6.369747       0.000000
#k = 174, k = ( -0.333333,  0.166667,  0.500000)
   1   --    -9.120007       2.000000
   2   --    -3.256425       2.000000
   3   --    -1.312922       2.000000
   4   --    -1.144006       2.000000
   5   --     4.796507       0.000000
   6   --     4.797209       0.000000
   7   --     7.814650       0.000000
#k = 175, k = (  0.166667,  0.333333,  0.500000)
   1   --    -9.357462       2.000000
   2   --    -2.890062       2.000000
   3   --    -1.155692       2.000000
   4   --    -0.417111       2.000000
   5   --     4.674682       0.000000
   6   --     5.198341       0.000000
   7   --     6.369747       0.000000
#k = 176, k = ( -0.166667,  0.333333,  0.500000)
   1   --    -9.120007       2.000000
   2   --    -3.256425       2.000000
   3   --    -1.312922       2.000000
   4   --    -1.144006       2.000000
   5   --     4.796507       0.000000
   6   --     4.797209       0.000000
   7   --     7.814650       0.000000
#k = 177, k = (  0.166667, -0.333333,  0.500000)
   1   --    -9.120007       2.000000
   2   --    -3.256425       2.000000
   3   --    -1.312922       2.000000
   4   --    -1.144006       2.000000
   5   --     4.796507       0.000000
   6   --     4.797209       0.000000
   7   --     7.814650       0.000000
#k = 178, k = ( -0.166667, -0.333333,  0.500000)
   1   --    -9.357462       2.000000
   2   --    -2.890062       2.000000
   3   --    -1.155692       2.000000
   4   --    -0.417111       2.000000
   5   --     4.674682       0.000000
   6   --     5.198341       0.000000
   7   --     6.369747       0.000000
#k = 179, k = (  0.333333, -0.166667,  0.500000)
   1   --    -9.120007       2.000000
   2   --    -3.256425       2.000000
   3   --    -1.312922       2.000000
   4   --    -1.144006       2.000000
   5   --     4.796507       0.000000
   6   --     4.797209       0.000000
   7   --     7.814650       0.000000
#k = 180, k = ( -0.333333, -0.166667,  0.500000)
   1   --    -9.357462       2.000000
   2   --    -2.890062       2.000000
   3   --    -1.155692       2.000000
   4   --    -0.417111       2.000000
   5   --     4.674682       0.000000
   6   --     5.198341       0.000000
   7   --     6.369747       0.000000
#k = 181, k = (  0.500000,  0.166667, -0.333333)
   1   --    -9.120007       2.000000
   2   --    -3.256425       2.000000
   3   --    -1.312922       2.000000
   4   --    -1.144006       2.000000
   5   --     4.796507       0.000000
   6   --     4.797209       0.000000
   7   --     7.814650       0.000000
#k = 182, k = (  0.166667,  0.500000, -0.333333)
   1   --    -9.120007       2.000000
   2   --    -3.256425       2.000000
   3   --    -1.312922       2.000000
   4   --    -1.144006       2.000000
   5   --     4.796507       0.000000
   6   --     4.797209       0.000000
   7   --     7.814650       0.000000
#k = 183, k = ( -0.166667,  0.500000, -0.333333)
   1   --    -9.357462       2.000000
   2   --    -2.890062       2.000000
   3   --    -1.155692       2.000000
   4   --    -0.417111       2.000000
   5   --     4.674682       0.000000
   6   --     5.198341       0.000000
   7   --     6.369747       0.000000
#k = 184, k = (  0.500000, -0.166667, -0.333333)
   1   --    -9.357462       2.000000
   2   --    -2.890062       2.000000
   3   --    -1.155692       2.000000
   4   --    -0.417111       2.000000
   5   --     4.674682       0.000000
   6   --     5.198341       0.000000
   7   --     6.369747       0.000000
#k = 185, k = (  0.500000,  0.333333, -0.166667)
   1   --    -9.120007       2.000000
   2   --    -3.256425       2.000000
   3   --    -1.312922       2.000000
   4   --    -1.144006       2.000000
   5   --     4.796507       0.000000
   6   --     4.797209       0.000000
   7   --     7.814650       0.000000
#k = 186, k = (  0.333333,  0.500000, -0.166667)
   1   --    -9.120007       2.000000
   2   --    -3.256425       2.000000
   3   --    -1.312922       2.000000
   4   --    -1.144006       2.000000
   5   --     4.796507       0.000000
   6   --     4.797209       0.000000
   7   --     7.814650       0.000000
#k = 187, k = ( -0.333333,  0.500000, -0.166667)
   1   --    -9.357462       2.000000
   2   --    -2.890062       2.000000
   3   --    -1.155692       2.000000
   4   --    -0.417111       2.000000
   5   --     4.674682       0.000000
   6   --     5.198341       0.000000
   7   --     6.369747       0.000000
#k = 188, k = (  0.500000, -0.333333, -0.166667)
   1   --    -9.357462       2.000000
   2   --    -2.890062       2.000000
   3   --    -1.155692       2.000000
   4   --    -0.417111       2.000000
   5   --     4.674682       0.000000
   6   --     5.198341       0.000000
   7   --     6.369747       0.000000
#k = 189, k = (  0.500000,  0.333333,  0.333333)
   1   --    -9.419678       2.000000
   2   --    -3.021481       2.000000
   3   --    -0.889687       2.000000
   4   --     0.076998       2.000000
   5   --     3.919887       0.000000
   6   --     6.020232       0.000000
   7   --     6.705353       0.000000
#k = 190, k = (  0.333333,  0.500000,  0.333333)
   1   --    -9.419678       2.000000
   2   --    -3.021481       2.000000
   3   --    -0.889687       2.000000
   4   --     0.076998       2.000000
   5   --     3.919887       0.000000
   6   --     6.020232       0.000000
   7   --     6.705353       0.000000
#k = 191, k = ( -0.333333,  0.500000,  0.333333)
   1   --    -9.193739       2.000000
   2   --    -3.198337       2.000000
   3   --    -1.474531       2.000000
   4   --    -0.678708       2.000000
   5   --     4.795038       0.000000
   6   --     5.690089       0.000000
   7   --     6.891910       0.000000
#k = 192, k = (  0.500000, -0.333333,  0.333333)
   1   --    -9.193739       2.000000
   2   --    -3.198337       2.000000
   3   --    -1.474531       2.000000
   4   --    -0.678708       2.000000
   5   --     4.795038       0.000000
   6   --     5.690089       0.000000
   7   --     6.891910       0.000000
#k = 193, k = (  0.333333,  0.333333,  0.500000)
   1   --    -9.419678       2.000000
   2   --    -3.021481       2.000000
   3   --    -0.889687       2.000000
   4   --     0.076998       2.000000
   5   --     3.919887       0.000000
   6   --     6.020232       0.000000
   7   --     6.705353       0.000000
#k = 194, k = ( -0.333333,  0.333333,  0.500000)
   1   --    -9.193739       2.000000
   2   --    -3.198337       2.000000
   3   --    -1.474531       2.000000
   4   --    -0.678708       2.000000
   5   --     4.795038       0.000000
   6   --     5.690089       0.000000
   7   --     6.891910       0.000000
#k = 195, k = (  0.333333, -0.333333,  0.500000)
   1   --    -9.193739       2.000000
   2   --    -3.198337       2.000000
   3   --    -1.474531       2.000000
   4   --    -0.678708       2.000000
   5   --     4.795038       0.000000
   6   --     5.690089       0.000000
   7   --     6.891910       0.000000
#k = 196, k = ( -0.333333, -0.333333,  0.500000)
   1   --    -9.419678       2.000000
   2   --    -3.021481       2.000000
   3   --    -0.889687       2.000000
   4   --     0.076998       2.000000
   5   --     3.919887       0.000000
   6   --     6.020232       0.000000
   7   --     6.705353       0.000000
#k = 197, k = (  0.500000,  0.333333, -0.333333)
   1   --    -9.193739       2.000000
   2   --    -3.198337       2.000000
   3   --    -1.474531       2.000000
   4   --    -0.678708       2.000000
   5   --     4.795038       0.000000
   6   --     5.690089       0.000000
   7   --     6.891910       0.000000
#k = 198, k = (  0.333333,  0.500000, -0.333333)
   1   --    -9.193739       2.000000
   2   --    -3.198337       2.000000
   3   --    -1.474531       2.000000
   4   --    -0.678708       2.000000
   5   --     4.795038       0.000000
   6   --     5.690089       0.000000
   7   --     6.891910       0.000000
#k = 199, k = ( -0.333333,  0.500000, -0.333333)
   1   --    -9.419678       2.000000
   2   --    -3.021481       2.000000
   3   --    -0.889687       2.000000
   4   --     0.076998       2.000000
   5   --     3.919887       0.000000
   6   --     6.020232       0.000000
   7   --     6.705353       0.000000
#k = 200, k = (  0.500000, -0.333333, -0.333333)
   1   --    -9.419678       2.000000
   2   --    -3.021481       2.000000
   3   --    -0.889687       2.000000
   4   --     0.076998       2.000000
   5   --     3.919887       0.000000
   6   --     6.020232       0.000000
   7   --     6.705353       0.000000
#k = 201, k = (  0.500000,  0.500000,  0.000000)
   1   --    -9.130780       2.000000
   2   --    -3.386498       2.000000
   3   --    -0.904959       2.000000
   4   --    -0.901905       2.000000
   5   --     3.585229       0.000000
   6   --     3.664650       0.000000
   7   --    10.075227       0.000000
#k = 202, k = (  0.500000,  0.000000,  0.500000)
   1   --    -9.130780       2.000000
   2   --    -3.386498       2.000000
   3   --    -0.904959       2.000000
   4   --    -0.901905       2.000000
   5   --     3.585229       0.000000
   6   --     3.664650       0.000000
   7   --    10.075227       0.000000
#k = 203, k = (  0.000000,  0.500000,  0.500000)
   1   --    -9.130780       2.000000
   2   --    -3.386498       2.000000
   3   --    -0.904959       2.000000
   4   --    -0.901905       2.000000
   5   --     3.585229       0.000000
   6   --     3.664650       0.000000
   7   --    10.075227       0.000000
#k = 204, k = (  0.500000,  0.500000,  0.166667)
   1   --    -9.206508       2.000000
   2   --    -3.183228       2.000000
   3   --    -1.222028       2.000000
   4   --    -0.691587       2.000000
   5   --     3.831741       0.000000
   6   --     4.767236       0.000000
   7   --     8.098137       0.000000
#k = 205, k = (  0.500000,  0.166667,  0.500000)
   1   --    -9.206508       2.000000
   2   --    -3.183228       2.000000
   3   --    -1.222028       2.000000
   4   --    -0.691587       2.000000
   5   --     3.831741       0.000000
   6   --     4.767236       0.000000
   7   --     8.098137       0.000000
#k = 206, k = (  0.166667,  0.500000,  0.500000)
   1   --    -9.206508       2.000000
   2   --    -3.183228       2.000000
   3   --    -1.222028       2.000000
   4   --    -0.691587       2.000000
   5   --     3.831741       0.000000
   6   --     4.767236       0.000000
   7   --     8.098137       0.000000
#k = 207, k = ( -0.166667,  0.500000,  0.500000)
   1   --    -9.206508       2.000000
   2   --    -3.183228       2.000000
   3   --    -1.222028       2.000000
   4   --    -0.691587       2.000000
   5   --     3.831741       0.000000
   6   --     4.767236       0.000000
   7   --     8.098137       0.000000
#k = 208, k = (  0.500000, -0.166667,  0.500000)
   1   --    -9.206508       2.000000
   2   --    -3.183228       2.000000
   3   --    -1.222028       2.000000
   4   --    -0.691587       2.000000
   5   --     3.831741       0.000000
   6   --     4.767236       0.000000
   7   --     8.098137       0.000000
#k = 209, k = (  0.500000,  0.500000, -0.166667)
   1   --    -9.206508       2.000000
   2   --    -3.183228       2.000000
   3   --    -1.222028       2.000000
   4   --    -0.691587       2.000000
   5   --     3.831741       0.000000
   6   --     4.767236       0.000000
   7   --     8.098137       0.000000
#k = 210, k = (  0.500000,  0.500000,  0.333333)
   1   --    -9.341667       2.000000
   2   --    -3.248700       2.000000
   3   --    -0.761516       2.000000
   4   --    -0.198524       2.000000
   5   --     3.845670       0.000000
   6   --     5.783248       0.000000
   7   --     6.989325       0.000000
#k = 211, k = (  0.500000,  0.333333,  0.500000)
   1   --    -9.341667       2.000000
   2   --    -3.248700       2.000000
   3   --    -0.761516       2.000000
   4   --    -0.198524       2.000000
   5   --     3.845670       0.000000
   6   --     5.783248       0.000000
   7   --     6.989325       0.000000
#k = 212, k = (  0.333333,  0.500000,  0.500000)
   1   --    -9.341667       2.000000
   2   --    -3.248700       2.000000
   3   --    -0.761516       2.000000
   4   --    -0.198524       2.000000
   5   --     3.845670       0.000000
   6   --     5.783248       0.000000
   7   --     6.989325       0.000000
#k = 213, k = ( -0.333333,  0.500000,  0.500000)
   1   --    -9.341667       2.000000
   2   --    -3.248700       2.000000
   3   --    -0.761516       2.000000
   4   --    -0.198524       2.000000
   5   --     3.845670       0.000000
   6   --     5.783248       0.000000
   7   --     6.989325       0.000000
#k = 214, k = (  0.500000, -0.333333,  0.500000)
   1   --    -9.341667       2.000000
   2   --    -3.248700       2.000000
   3   --    -0.761516       2.000000
   4   --    -0.198524       2.000000
   5   --     3.845670       0.000000
   6   --     5.783248       0.000000
   7   --     6.989325       0.000000
#k = 215, k = (  0.500000,  0.500000, -0.333333)
   1   --    -9.341667       2.000000
   2   --    -3.248700       2.000000
   3   --    -0.761516       2.000000
   4   --    -0.198524       2.000000
   5   --     3.845670       0.000000
   6   --     5.783248       0.000000
   7   --     6.989325       0.000000
#k = 216, k = (  0.500000,  0.500000,  0.500000)
   1   --    -9.402514       2.000000
   2   --    -3.434979       2.000000
   3   --     0.102533       2.000000
   4   --     0.102533       2.000000
   5   --     2.877229       0.000000
   6   --     6.204343       0.000000
   7   --     6.204343       0.000000

Direct gap at ik=    1 of  1.0762 eV
Indirect gap between ik=    1 and ik=    1 of  1.0762 eV

Energy [eV]:
      Total       =      -253.05974738
      Free        =      -253.05974738
      -----------
      Ion-ion     =      -215.75762957
      Eigenvalues =       -26.56761200
      Hartree     =        29.16071905
      Int[n*v_xc] =       -79.23134620
      Exchange    =       -53.02525987
      Correlation =        -7.77987309
      vanderWaals =         0.00000000
      Delta XC    =         0.00000000
      Entropy     =         0.00000000
      -TS         =        -0.00000000
      Photon ex.  =         0.00000000
      Kinetic     =        77.78451075
      External    =       -83.44221463
      Non-local   =         3.58699378
      Int[n*v_E]  =         0.00000000

Convergence:
      abs_dens =  3.27970411E-12 ( 0.00000000E+00)
      rel_dens =  4.09963013E-13 ( 1.00000000E-06)
      abs_ev =  1.20842820E-12 ( 0.00000000E+00) [eV]
      rel_ev =  4.54850137E-14 ( 0.00000000E+00)

Forces on the ions [eV/A]
 Ion                        x              y              z
   1        Te  -0.618111E-01  -0.618111E-01  -0.618111E-01
   2        Cd   0.365471E-02   0.365471E-02   0.365471E-02
 ----------------------------------------------------------
 Max abs force   0.618111E-01   0.618111E-01   0.618111E-01
   Total force  -0.581564E-01  -0.581564E-01  -0.581564E-01
  Total torque   0.267005E-09   0.812619E-10  -0.348267E-09
