ATOMIC_SPECIES
C 12.000 ../../PP_ORB/C_ONCV_PBE-1.0.upf 	#Element, Mass, Pseudopotential
H 1.008 ../../PP_ORB/H_ONCV_PBE-1.0.upf

NUMERICAL_ORBITAL
../../PP_ORB/C_gga_8au_100Ry_2s2p1d.orb
../../PP_ORB/H_gga_8au_100Ry_2s1p.orb

NUMERICAL_DESCRIPTOR
jle.orb

LATTICE_CONSTANT
47.24314972   			#Lattice constant

LATTICE_VECTORS
1 0 0
0 1 0
0 0 1

ATOMIC_POSITIONS
Cartesian 		#Cartesian(Unit is LATTICE_CONSTANT)
C 			#Name of element	
0.0			#Magnetic for this element.
1			#Number of atoms
0.999619 0.000169648 0.00131031

H
0.0
4
0.998911 6.75673e-05 0.0374835
0.0418908 0.000157703 0.987531
0.980183 0.965348 0.9869
0.98072 0.0340401 0.987153
