ATOMIC_SPECIES
As 1  As_dojo_nsoc.upf 
Ga 1  Ga_dojo_nsoc.upf

LATTICE_CONSTANT
5.3 // add lattice constant, 10.58 ang

NUMERICAL_ORBITAL
./As_dojo.orb
./Ga_dojo.orb

LATTICE_VECTORS
1 0 0
0 1 0
0 0 1

ATOMIC_POSITIONS
Direct //Cartesian or Direct coordinate.

As
0
1
0.2500000          0.2500000          0.25000000     0 0 0

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