Geometry = GenFormat {
64  S
 Si C
     1    1    0.01000000000E+00   0.00000000000E+00   0.00000000000E+00
     2    1    0.21708370000E+01   0.00000000000E+00   0.21708370000E+01
     3    1    0.21708370000E+01  -0.21708370000E+01   0.00000000000E+00
     4    1    0.00000000000E+00  -0.21708370000E+01   0.21708370000E+01
     5    1    0.21708370000E+01   0.21708370000E+01   0.00000000000E+00
     6    1    0.21708370000E+01   0.00000000000E+00  -0.21708370000E+01
     7    1    0.00000000000E+00   0.21708370000E+01   0.21708370000E+01
     8    1    0.00000000000E+00  -0.21708370000E+01  -0.21708370000E+01
     9    1   -0.21708370000E+01   0.00000000000E+00   0.21708370000E+01
    10    1   -0.21708370000E+01  -0.21708370000E+01   0.00000000000E+00
    11    1    0.00000000000E+00   0.21708370000E+01  -0.21708370000E+01
    12    1   -0.21708370000E+01   0.21708370000E+01   0.00000000000E+00
    13    1   -0.21708370000E+01   0.00000000000E+00  -0.21708370000E+01
    14    1    0.00000000000E+00   0.00000000000E+00   0.43416740000E+01
    15    1    0.43416740000E+01   0.00000000000E+00   0.00000000000E+00
    16    1    0.00000000000E+00  -0.43416740000E+01   0.00000000000E+00
    17    1   -0.21708370000E+01  -0.43416740000E+01  -0.21708370000E+01
    18    1    0.21708370000E+01   0.21708370000E+01   0.43416740000E+01
    19    1    0.43416740000E+01   0.21708370000E+01   0.21708370000E+01
    20    1    0.21708370000E+01   0.43416740000E+01   0.21708370000E+01
    21    1   -0.21708370000E+01  -0.21708370000E+01  -0.43416740000E+01
    22    1   -0.43416740000E+01  -0.21708370000E+01  -0.21708370000E+01
    23    1   -0.43416740000E+01  -0.21708370000E+01   0.21708370000E+01
    24    1    0.21708370000E+01  -0.21708370000E+01   0.43416740000E+01
    25    1    0.21708370000E+01  -0.43416740000E+01  -0.21708370000E+01
    26    1   -0.21708370000E+01  -0.43416740000E+01   0.21708370000E+01
    27    1    0.43416740000E+01   0.21708370000E+01  -0.21708370000E+01
    28    1   -0.21708370000E+01   0.21708370000E+01   0.43416740000E+01
    29    1    0.43416740000E+01   0.00000000000E+00   0.43416740000E+01
    30    1    0.00000000000E+00   0.43416740000E+01   0.43416740000E+01
    31    1    0.43416740000E+01   0.43416740000E+01   0.00000000000E+00
    32    1    0.43416740000E+01   0.43416740000E+01   0.43416740000E+01
    33    2    0.10854190000E+01   0.10854190000E+01   0.10854190000E+01
    34    2    0.10854190000E+01  -0.10854190000E+01  -0.10854190000E+01
    35    2   -0.10854190000E+01  -0.10854190000E+01   0.10854190000E+01
    36    2   -0.10854190000E+01   0.10854190000E+01  -0.10854190000E+01
    37    2    0.32562550000E+01   0.10854190000E+01  -0.10854190000E+01
    38    2    0.32562550000E+01  -0.10854190000E+01   0.10854190000E+01
    39    2   -0.10854190000E+01   0.10854190000E+01   0.32562550000E+01
    40    2    0.10854190000E+01  -0.10854190000E+01   0.32562550000E+01
    41    2   -0.10854190000E+01  -0.32562550000E+01  -0.10854190000E+01
    42    2    0.10854190000E+01   0.32562550000E+01  -0.10854190000E+01
    43    2    0.10854190000E+01   0.10854190000E+01  -0.32562550000E+01
    44    2   -0.10854190000E+01   0.32562550000E+01   0.10854190000E+01
    45    2    0.10854190000E+01  -0.32562550000E+01   0.10854190000E+01
    46    2   -0.10854190000E+01  -0.10854190000E+01  -0.32562550000E+01
    47    2   -0.32562550000E+01   0.10854190000E+01   0.10854190000E+01
    48    2   -0.32562550000E+01  -0.10854190000E+01  -0.10854190000E+01
    49    2    0.10854190000E+01   0.32562550000E+01   0.32562550000E+01
    50    2    0.32562550000E+01   0.32562550000E+01   0.10854190000E+01
    51    2    0.32562550000E+01   0.10854190000E+01   0.32562550000E+01
    52    2    0.32562550000E+01  -0.32562550000E+01  -0.10854190000E+01
    53    2   -0.10854190000E+01  -0.32562550000E+01   0.32562550000E+01
    54    2    0.32562550000E+01  -0.10854190000E+01  -0.32562550000E+01
    55    2    0.10854190000E+01  -0.32562550000E+01  -0.32562550000E+01
    56    2   -0.32562550000E+01  -0.10854190000E+01   0.32562550000E+01
    57    2   -0.32562550000E+01  -0.32562550000E+01   0.10854190000E+01
    58    2   -0.10854190000E+01   0.32562550000E+01  -0.32562550000E+01
    59    2   -0.32562550000E+01   0.32562550000E+01  -0.10854190000E+01
    60    2   -0.32562550000E+01   0.10854190000E+01  -0.32562550000E+01
    61    2   -0.32562550000E+01   0.32562550000E+01   0.32562550000E+01
    62    2   -0.32562550000E+01  -0.32562550000E+01  -0.32562550000E+01
    63    2    0.32562550000E+01  -0.32562550000E+01   0.32562550000E+01
    64    2    0.32562550000E+01   0.32562550000E+01  -0.32562550000E+01
   0.00000000000E+00   0.00000000000E+00   0.00000000000E+00
   0.86833480000E+01   0.00000000000E+00   0.00000000000E+00
   0.00000000000E+00   0.86833480000E+01   0.00000000000E+00
   0.00000000000E+00   0.00000000000E+00   0.86833480000E+01
}

Hamiltonian = DFTB {
  SCC = Yes
  SCCTolerance = 1.0E-7
  Filling = Fermi {
    Temperature [K] = 500
  }
  Solver = OMM {
     Sparse = No
  }
  SpinOrbit = {
    Dual = Yes
    Si [eV] = {0.0 0.029}
    C [eV] = {0.0 0.0}
  }
  OnSiteCorrection= {
    # ss' sp
    # ps  pp'
    Cuu = {0        0.04973
           0.04973 -0.01203}
    Cud = {0        0.10512
           0.10512  0.02643}
    Siuu = {0        0.04973 # dummy values
            0.04973 -0.01203}
    Siud = {0        0.10512
            0.10512  0.02643}
  }
  MaxAngularMomentum = {
    Si = "p"
    C = "p"
  }
  SlaterKosterFiles = {
    Si-Si = "./Si-Si.skf"
    Si-C = "./Si-C.skf"
    C-Si = "./C-Si.skf"
    C-C = "./C-C.skf"
  }
  KPointsAndWeights = SupercellFolding {
   2 0 0
   0 2 0
   0 0 2
   0.5 0.5 0.5
  }
}

Analysis = {
  CalculateForces = Yes
}

Options = {
  WriteAutotestTag = Yes
}

ParserOptions = {
  ParserVersion = 8
}

Parallel = {
  UseOmpThreads = No
  Groups = 8
}
