include '/gpfs0/physp2/harrisdt/paw/bn/atomdata/B/LDA/B.atomicdata' include '/gpfs0/physp2/harrisdt/paw/bn/atomdata/N/LDA/N.atomicdata' AtomType_Occupancy B Orbitals_Size 2 Valence_Orbitals 1 2 Valence_Occupancy 2 1 End AtomType_Occupancy N Orbitals_Size 2 Valence_Orbitals 1 3 Valence_Occupancy 2 3 End