ATOMIC_SPECIES
Mg 24.305 Mg_ONCV_PBE-1.0.upf upf201 #lable name pp_file pp_type
O  15.999 O_ONCV_PBE-1.0.upf upf201

NUMERICAL_ORBITAL
./support/Mg_gga_8au_100Ry_4s2p1d.orb
./support/O_gga_8au_100Ry_2s2p1d.orb

NUMERICAL_DESCRIPTOR
jle.orb

LATTICE_CONSTANT
1.8897259886 	# 1.8897259886 Bohr = 1.0 Angstrom

LATTICE_VECTORS
4.27957 0.00000 0.00000
0.00000 4.27957 0.00000
0.00000 0.00000 4.27957

ATOMIC_POSITIONS
Direct 
Mg
0.0
-1
