include '/gpfs0/physp2/harrisdt/paw/64bit/NaCl/atomdata/Na/LDA/Na.atomicdata' include '/gpfs0/physp2/harrisdt/paw/64bit/NaCl/atomdata/Cl/LDA/Cl.atomicdata' AtomType_Occupancy Na Orbitals_Size 3 Valence_Orbitals 1 2 3 Valence_occupancy 2 1 6 End AtomType_Occupancy Cl Orbitals_Size 4 Valence_Orbitals 1 2 3 4 Valence_occupancy 2 2 6 5 End