include '/gpfs0/physp2/harrisdt/paw/64bit/LiF_11/atomdata/Li/LDA/Li.atomicdata' include '/gpfs0/physp2/harrisdt/paw/64bit/LiF_11/atomdata/F/LDA/F.atomicdata' AtomType_Occupancy Li Orbitals_Size 2 Valence_Orbitals 1 2 Valence_occupancy 2 1 End AtomType_Occupancy F Orbitals_Size 2 Valence_Orbitals 1 3 Valence_occupancy 2 5 End