ATOMIC_SPECIES
H	1.0080	../../PP_ORB/H_ONCV_PBE-1.0.upf					#Pseudopotentials are downloaded from http://www.quantum-simulation.org/potentials/sg15_oncv/upf/

NUMERICAL_ORBITAL
../../PP_ORB/H_gga_6au_60Ry_2s1p.orb                 

LATTICE_CONSTANT
60.0            #37.79532, 22.6767

LATTICE_VECTORS
0.5 0.5 0.0
0.5 0.0 0.5
0.0 0.5 0.5

ATOMIC_POSITIONS
Direct
H
0
1
0.5 0.5 0.5 0 0 0
