ATOMIC_SPECIES
H 1.000 H_ONCV_PBE-1.0.upf
O 1.000 O_ONCV_PBE-1.0.upf

NUMERICAL_ORBITAL
H_gga_6au_60Ry_2s1p.orb
O_gga_6au_60Ry_2s2p1d.orb


LATTICE_CONSTANT
10  // add lattice constant, 10.58 ang

LATTICE_VECTORS
1.0 0.0 0.0
0.0 1.0 0.0
0.0 0.0 1.0

ATOMIC_POSITIONS
Direct //Cartesian or Direct coordinate.

H // element type
0 // magnetism
2	// number of atoms
0.57155  0.05539  0.000  1 1 1
0.42845  0.05539  0.000  1 1 1

O	// Element type
0	// magnetism
1  //number of atoms
0.500  0.000  0.000  1 1 1
