ATOMIC_SPECIES
Si  28.085  ../../../../tests/PP_ORB/Si_ONCV_PBE-1.0.upf

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

LATTICE_CONSTANT
10.2  // add lattice constant

LATTICE_VECTORS
0.5 0.5 0.0
0.5 0.0 0.5
0.0 0.5 0.5

ATOMIC_POSITIONS
Cartesian //Cartesian or Direct coordinate.

Si      // Element type
0.0     // magnetism
2       // number of atoms
0.00 0.00 0.00 m 0 0 0
0.25 0.25 0.25 m 0 0 0