ATOMIC_SPECIES
Si 14.000 ../potential/Si_ONCV_PBE-1.0.upf

NUMERICAL_ORBITAL
../potential/Si_gga_8au_100Ry_2s2p1d.orb

LATTICE_CONSTANT
0.99966

LATTICE_VECTORS
 20.4000000  20.4000000   0.0000000
 20.4000000   0.0000000  20.4000000
  0.0000000  20.4000000  20.4000000

ATOMIC_POSITIONS
Direct

Si
0.0
128
  0.0000000   0.0000000   0.0000000 1 1 1
  0.0625000   0.0625000   0.0625000 1 1 1
  0.0000000   0.0000000   0.2500000 1 1 1
  0.0625000   0.0625000   0.3125000 1 1 1
  0.0000000   0.2500000   0.0000000 1 1 1
  0.0625000   0.3125000   0.0625000 1 1 1
  0.0000000   0.2500000   0.2500000 1 1 1
  0.0625000   0.3125000   0.3125000 1 1 1
  0.2500000   0.0000000   0.0000000 1 1 1
  0.3125000   0.0625000   0.0625000 1 1 1
  0.2500000   0.0000000   0.2500000 1 1 1
  0.3125000   0.0625000   0.3125000 1 1 1
  0.2500000   0.2500000   0.0000000 1 1 1
  0.3125000   0.3125000   0.0625000 1 1 1
  0.2500000   0.2500000   0.2500000 1 1 1
  0.3125000   0.3125000   0.3125000 1 1 1
  0.0000000   0.0000000   0.5000000 1 1 1
  0.0625000   0.0625000   0.5625000 1 1 1
  0.0000000   0.0000000   0.7500000 1 1 1
  0.0625000   0.0625000   0.8125000 1 1 1
  0.0000000   0.2500000   0.5000000 1 1 1
  0.0625000   0.3125000   0.5625000 1 1 1
  0.0000000   0.2500000   0.7500000 1 1 1
  0.0625000   0.3125000   0.8125000 1 1 1
  0.2500000   0.0000000   0.5000000 1 1 1
  0.3125000   0.0625000   0.5625000 1 1 1
  0.2500000   0.0000000   0.7500000 1 1 1
  0.3125000   0.0625000   0.8125000 1 1 1
  0.2500000   0.2500000   0.5000000 1 1 1
  0.3125000   0.3125000   0.5625000 1 1 1
  0.2500000   0.2500000   0.7500000 1 1 1
  0.3125000   0.3125000   0.8125000 1 1 1
  0.0000000   0.5000000   0.0000000 1 1 1
  0.0625000   0.5625000   0.0625000 1 1 1
  0.0000000   0.5000000   0.2500000 1 1 1
  0.0625000   0.5625000   0.3125000 1 1 1
  0.0000000   0.7500000   0.0000000 1 1 1
  0.0625000   0.8125000   0.0625000 1 1 1
  0.0000000   0.7500000   0.2500000 1 1 1
  0.0625000   0.8125000   0.3125000 1 1 1
  0.2500000   0.5000000   0.0000000 1 1 1
  0.3125000   0.5625000   0.0625000 1 1 1
  0.2500000   0.5000000   0.2500000 1 1 1
  0.3125000   0.5625000   0.3125000 1 1 1
  0.2500000   0.7500000   0.0000000 1 1 1
  0.3125000   0.8125000   0.0625000 1 1 1
  0.2500000   0.7500000   0.2500000 1 1 1
  0.3125000   0.8125000   0.3125000 1 1 1
  0.0000000   0.5000000   0.5000000 1 1 1
  0.0625000   0.5625000   0.5625000 1 1 1
  0.0000000   0.5000000   0.7500000 1 1 1
  0.0625000   0.5625000   0.8125000 1 1 1
  0.0000000   0.7500000   0.5000000 1 1 1
  0.0625000   0.8125000   0.5625000 1 1 1
  0.0000000   0.7500000   0.7500000 1 1 1
  0.0625000   0.8125000   0.8125000 1 1 1
  0.2500000   0.5000000   0.5000000 1 1 1
  0.3125000   0.5625000   0.5625000 1 1 1
  0.2500000   0.5000000   0.7500000 1 1 1
  0.3125000   0.5625000   0.8125000 1 1 1
  0.2500000   0.7500000   0.5000000 1 1 1
  0.3125000   0.8125000   0.5625000 1 1 1
  0.2500000   0.7500000   0.7500000 1 1 1
  0.3125000   0.8125000   0.8125000 1 1 1
  0.5000000   0.0000000   0.0000000 1 1 1
  0.5625000   0.0625000   0.0625000 1 1 1
  0.5000000   0.0000000   0.2500000 1 1 1
  0.5625000   0.0625000   0.3125000 1 1 1
  0.5000000   0.2500000   0.0000000 1 1 1
  0.5625000   0.3125000   0.0625000 1 1 1
  0.5000000   0.2500000   0.2500000 1 1 1
  0.5625000   0.3125000   0.3125000 1 1 1
  0.7500000   0.0000000   0.0000000 1 1 1
  0.8125000   0.0625000   0.0625000 1 1 1
  0.7500000   0.0000000   0.2500000 1 1 1
  0.8125000   0.0625000   0.3125000 1 1 1
  0.7500000   0.2500000   0.0000000 1 1 1
  0.8125000   0.3125000   0.0625000 1 1 1
  0.7500000   0.2500000   0.2500000 1 1 1
  0.8125000   0.3125000   0.3125000 1 1 1
  0.5000000   0.0000000   0.5000000 1 1 1
  0.5625000   0.0625000   0.5625000 1 1 1
  0.5000000   0.0000000   0.7500000 1 1 1
  0.5625000   0.0625000   0.8125000 1 1 1
  0.5000000   0.2500000   0.5000000 1 1 1
  0.5625000   0.3125000   0.5625000 1 1 1
  0.5000000   0.2500000   0.7500000 1 1 1
  0.5625000   0.3125000   0.8125000 1 1 1
  0.7500000   0.0000000   0.5000000 1 1 1
  0.8125000   0.0625000   0.5625000 1 1 1
  0.7500000   0.0000000   0.7500000 1 1 1
  0.8125000   0.0625000   0.8125000 1 1 1
  0.7500000   0.2500000   0.5000000 1 1 1
  0.8125000   0.3125000   0.5625000 1 1 1
  0.7500000   0.2500000   0.7500000 1 1 1
  0.8125000   0.3125000   0.8125000 1 1 1
  0.5000000   0.5000000   0.0000000 1 1 1
  0.5625000   0.5625000   0.0625000 1 1 1
  0.5000000   0.5000000   0.2500000 1 1 1
  0.5625000   0.5625000   0.3125000 1 1 1
  0.5000000   0.7500000   0.0000000 1 1 1
  0.5625000   0.8125000   0.0625000 1 1 1
  0.5000000   0.7500000   0.2500000 1 1 1
  0.5625000   0.8125000   0.3125000 1 1 1
  0.7500000   0.5000000   0.0000000 1 1 1
  0.8125000   0.5625000   0.0625000 1 1 1
  0.7500000   0.5000000   0.2500000 1 1 1
  0.8125000   0.5625000   0.3125000 1 1 1
  0.7500000   0.7500000   0.0000000 1 1 1
  0.8125000   0.8125000   0.0625000 1 1 1
  0.7500000   0.7500000   0.2500000 1 1 1
  0.8125000   0.8125000   0.3125000 1 1 1
  0.5000000   0.5000000   0.5000000 1 1 1
  0.5625000   0.5625000   0.5625000 1 1 1
  0.5000000   0.5000000   0.7500000 1 1 1
  0.5625000   0.5625000   0.8125000 1 1 1
  0.5000000   0.7500000   0.5000000 1 1 1
  0.5625000   0.8125000   0.5625000 1 1 1
  0.5000000   0.7500000   0.7500000 1 1 1
  0.5625000   0.8125000   0.8125000 1 1 1
  0.7500000   0.5000000   0.5000000 1 1 1
  0.8125000   0.5625000   0.5625000 1 1 1
  0.7500000   0.5000000   0.7500000 1 1 1
  0.8125000   0.5625000   0.8125000 1 1 1
  0.7500000   0.7500000   0.5000000 1 1 1
  0.8125000   0.8125000   0.5625000 1 1 1
  0.7500000   0.7500000   0.7500000 1 1 1
  0.8125000   0.8125000   0.8125000 1 1 1

