ATOMIC_SPECIES
Si 14 Si.pz-vbc.UPF

LATTICE_CONSTANT
10.2  // add lattice constant

NUMERICAL_ORBITAL
../tools/PP_ORB/Si_lda_8.0au_50Ry_2s2p1d

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	
1.0	// magnetism
2	
0.00 0.00 0.00 1 1 1 angle1 90 angle2 0
0.25 0.25 0.25 1 1 1 angle1 90 angle2 180
