ATOMIC_SPECIES
Si 1.000 Si.pz-vbc.UPF

NUMERICAL_ORBITAL
./Si_lda_8.0au_50Ry_2s2p1d

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 0 0 0
0.25 0.25 0.25 1 1 1
