ATOMIC_SPECIES
Cu 29.000 ../potential/Cu_ONCV_PBE-1.0.upf

NUMERICAL_ORBITAL
../potential/Cu_gga_9au_100Ry_4s2p2d1f.orb

LATTICE_CONSTANT
1.889716

LATTICE_VECTORS
    3.61470     0.00000     0.00000
    0.00000     3.61470     0.00000
    0.00000     0.00000     3.61470

ATOMIC_POSITIONS
Direct

Cu
0.0
4
  0.0000000   0.0000000   0.0000000 1 1 1
  0.0000000   0.5000000   0.5000000 1 1 1
  0.5000000   0.0000000   0.5000000 1 1 1
  0.5000000   0.5000000   0.0000000 1 1 1

