include '/gpfs0/physp2/harrisdt/paw/64bit/YN/atomdata/Y/GGA/Y.atomicdata' include '/gpfs0/physp2/harrisdt/paw/64bit/YN/atomdata/N/GGA/N.atomicdata' AtomType_Occupancy Y Orbitals_Size 5 Valence_Orbitals 1 2 3 4 5 Valence_occupancy 2 2 6 0 1 End AtomType_Occupancy N Orbitals_Size 2 Valence_Orbitals 1 3 Valence_Occupancy 2 3 End