include '/gpfs0/physp2/harrisdt/paw/LaN/atomdata/La/gga2/La.atomicdata' include '/gpfs0/physp2/harrisdt/paw/LaN/atomdata/N/gga/N.atomicdata' AtomType_Occupancy La Orbitals_Size 5 Valence_Orbitals 1 2 3 5 7 Valence_occupancy 2 2 6 1 0 End AtomType_Occupancy N Orbitals_Size 2 Valence_Orbitals 1 3 Valence_occupancy 2 3 End