ATOMIC_SPECIES
Si 28.0855 Si_ONCV_PBE-1.0.upf

NUMERICAL_ORBITAL
Si_gga_8au_100Ry_2s2p1d.orb

LATTICE_CONSTANT
10.26

LATTICE_VECTORS
0 0.5 0.5
0.5 0 0.5
0.5 0.5 0

ATOMIC_POSITIONS
Direct
Si
0.0
2
0 0 0 1 1 1
0.25 0.25 0.25 1 1 1
