ATOMIC_SPECIES
H 1.00 H_ONCV_PBE-1.0.upf
O 1.00 O_ONCV_PBE-1.0.upf


LATTICE_CONSTANT
1

LATTICE_VECTORS
28 0 0 
0 28 0 
0 0 28 

ATOMIC_POSITIONS
Cartesian    # Cartesian(Unit is LATTICE_CONSTANT)

H
0.0
2
2.451268787740 18.304568063522 29.094778093001 0 0 0
0.634768813069 17.692018052980 31.090158495369 0 0 0
O
0.0
1
0.953925982272 17.270156608314 29.386199785767 0 0 0

NUMERICAL_ORBITAL
./1_H_gga_100Ry_7au_2s1p.orb
./8_O_gga_100Ry_7au_2s2p1d.orb

NUMERICAL_DESCRIPTOR
../Model_ProjOrb/5au_100Ry_jle.orb
