ATOMIC_SPECIES
Si 14.000 ../../../tests/PP_ORB/Si_ONCV_PBE-1.0.upf

NUMERICAL_ORBITAL
../../../tests/PP_ORB/Si_gga_8au_100Ry_2s2p1d.orb

LATTICE_CONSTANT
0.999660

LATTICE_VECTORS
   10.20000    10.20000     0.00000
   10.20000     0.00000    10.20000
    0.00000    10.20000    10.20000

ATOMIC_POSITIONS
Direct

Si
0.0
16
  0.0000000   0.0000000   0.0000000 1 1 1
  0.1250000   0.1250000   0.1250000 1 1 1
  0.0000000   0.0000000   0.5000000 1 1 1
  0.1250000   0.1250000   0.6250000 1 1 1
  0.0000000   0.5000000   0.0000000 1 1 1
  0.1250000   0.6250000   0.1250000 1 1 1
  0.0000000   0.5000000   0.5000000 1 1 1
  0.1250000   0.6250000   0.6250000 1 1 1
  0.5000000   0.0000000   0.0000000 1 1 1
  0.6250000   0.1250000   0.1250000 1 1 1
  0.5000000   0.0000000   0.5000000 1 1 1
  0.6250000   0.1250000   0.6250000 1 1 1
  0.5000000   0.5000000   0.0000000 1 1 1
  0.6250000   0.6250000   0.1250000 1 1 1
  0.5000000   0.5000000   0.5000000 1 1 1
  0.6250000   0.6250000   0.6250000 1 1 1

