ATOMIC_SPECIES
Si 1.000 ../tools/PP_ORB/Si_dojo_nsoc.upf

NUMERICAL_ORBITAL
../tools/PP_ORB/Si_dojo_6au.orb

LATTICE_CONSTANT
10.2  			#Lattice constant

LATTICE_VECTORS
0.5 0.5 0.0 		#Lattice vector 1
0.5 0.0 0.5 		#Lattice vector 2
0.0 0.5 0.5 		#Lattice vector 3

ATOMIC_POSITIONS
Cartesian 	
Si 				
0.0			
2			
0.00 0.00 0.00 0 0 0
0.25 0.25 0.25 1 1 1
