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