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