include '/gpfs0/physp2/harrisdt/paw/FeO/atomdata/Fe/GGA/Fe.atomicdata' include '/gpfs0/physp2/harrisdt/paw/FeO/atomdata/O/GGA/O.atomicdata' AtomType_Occupancy Fe Orbitals_Size 5 Valence_Orbitals 1 2 3 4 5 Spinup_Valence_Occupancy 1 1 3 0 5 Spindn_Valence_Occupancy 1 1 3 0 1 End AtomType_Occupancy O Orbitals_Size 2 Valence_Orbitals 1 3 Spinup_Valence_Occupancy 1 2 Spindn_Valence_Occupancy 1 2 End