ATOMIC_SPECIES
Ce 140.115 ../tools/PP_ORB/58_Ce.UPF

NUMERICAL_ORBITAL
../tools/PP_ORB/Ce_gga_8au_80Ry_4s2p2d2f.Orb

LATTICE_CONSTANT
8.92

LATTICE_VECTORS
0.5 0.5 0.0
0.5 0.0 0.5
0.0 0.5 0.5

ATOMIC_POSITIONS
Direct

Ce
0.0
1
0.00 0.00 0.00 1 1 1
