ATOMIC_SPECIES
Mg 24.305  ../../PP_ORB/Mg_ONCV_PBE-1.0.upf  # element name, atomic mass, pseudopotential file

NUMERICAL_ORBITAL
../../PP_ORB/Mg_gga_8au_100Ry_4s2p1d.orb

LATTICE_CONSTANT
1.889725989 #1.889725989

LATTICE_VECTORS
3.55  0      0
0     3.55   0
0     0      3.55

ATOMIC_POSITIONS
Direct
Mg
0.0
1
0.0  0.0  0.0
