include '/gpfs0/physp2/harrisdt/paw/64bit/LiCl/atomdata/Li/GGA/Li.atomicdata' include '/gpfs0/physp2/harrisdt/paw/64bit/LiCl/atomdata/Cl/GGA/Cl.atomicdata' AtomType_Occupancy Li Orbitals_Size 2 Valence_Orbitals 1 2 Valence_occupancy 2 1 End AtomType_Occupancy Cl Orbitals_Size 4 Valence_Orbitals 1 2 3 4 Valence_occupancy 2 2 6 5 End