ATOMIC_SPECIES
C 12.000 C.LDA.UPF

NUMERICAL_ORBITAL
C_lda_8.0au_100Ry_2s2p1d.orb

LATTICE_CONSTANT
6.1

LATTICE_VECTORS
-0.5 0.0 0.5
 0.0 0.5 0.5
-0.5 0.5 0.0

ATOMIC_POSITIONS
Direct
C	
0.0
2
 0.875  0.875  0.875 0 0 0
 0.125  0.125  0.125 0 0 0
