include '/gpfs0/physp2/harrisdt/paw/Ni/try5/atomdata/Ni/GGA/Ni.atomicdata' AtomType_Occupancy Ni Orbitals_Size 4 Valence_Orbitals 1 2 3 5 Spinup_Valence_occupancy 1 1 3 5 Spindn_Valence_occupancy 1 1 3 3 End