ATOMIC_SPECIES
Si 14 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
Direct 

Si	// Element type	
0.0	// magnetism
2	
0.00 0.00 0.00 1 1 1
0.25 0.25 0.25 1 1 1
