Include /gpfs0/physp2/dellnw3/Cr/pwpaw/Cr_example/atomdata/Cr-GGA-V-S/Cr.atomicdata AtomType_Occupancy Cr Orbitals_Size 5 Valence_Orbitals 1 2 3 4 5 Spinup_Valence_occupancy 1 1 3 0 4 Spindn_Valence_occupancy 1 1 3 0 0 End