include '/gpfs0/physp2/harrisdt/paw/ZnO/atomdata/Zn/LDA/Zn.atomicdata' include '/gpfs0/physp2/harrisdt/paw/ZnO/atomdata/O/LDA/O.atomicdata' AtomType_Occupancy Zn Orbitals_Size 5 Valence_Orbitals 1 2 3 4 5 Valence_Occupancy 2 2 6 0 10 End AtomType_Occupancy O Orbitals_Size 2 Valence_Orbitals 1 3 Valence_Occupancy 2 4 End