ATOMIC_SPECIES
As 1   As_ONCV_PBE_FR-1.1.upf upf201
Ga 1   Ga_ONCV_PBE_FR-1.0.upf.txt upf201

LATTICE_CONSTANT
1  // add lattice constant, 10.58 ang

NUMERICAL_ORBITAL
As_gga_8au_60Ry_2s2p1d.orb
Ga_gga_9au_60Ry_2s2p2d.orb

LATTICE_VECTORS
5.34197 5.34197  0.0
0.0  5.34197 5.34197
5.34197  0.0  5.34197
ATOMIC_POSITIONS
Direct //Cartesian or Direct coordinate.

As
0
1
0.2600000          0.2400000          0.245000000     0 0 0

Ga              //Element Label
0
1              //number of atom
0.00000          0.00000          0.000000     0 0 0
