include '/gpfs0/physp2/harrisdt/paw/64bit/NaF_3/atomdata/Na/GGA/Na.atomicdata' include '/gpfs0/physp2/harrisdt/paw/64bit/NaF_3/atomdata/F/GGA/F.atomicdata' AtomType_Occupancy Na Orbitals_Size 3 Valence_Orbitals 1 2 3 Valence_occupancy 2 1 6 End AtomType_Occupancy F Orbitals_Size 2 Valence_Orbitals 1 3 Valence_occupancy 2 5 End