ATOMIC_SPECIES
Fe1 1.000 ../tools/PP_ORB/Fe_ONCV_PBE-1.0.upf
Fe2 1.000 ../tools/PP_ORB/Fe_ONCV_PBE-1.0.upf

NUMERICAL_ORBITAL
../tools/PP_ORB/Fe_gga_9au_100Ry_4s2p2d1f.orb
../tools/PP_ORB/Fe_gga_9au_100Ry_4s2p2d1f.orb

LATTICE_CONSTANT
15

LATTICE_VECTORS
 1.00    0.50     0.50
 0.50    1.00     0.50
 0.50    0.50     1.00
ATOMIC_POSITIONS
Direct

Fe1
0.0
1
0.00            0.00            0.00            1        1       1 mag 1.0

Fe2
0.0
1
0.50            0.50            0.50            1        1       1 mag -1.0


