include '/gpfs0/physp2/dellnw3/SiO4/pwpaw/AtomData/Si-LDA-V-S/Si.atomicdata' include '/gpfs0/physp2/dellnw3/SiO4/pwpaw/AtomData/O-LDA-V-S/O.atomicdata' AtomType_Occupancy Si Orbitals_Size 4 Valence_Orbitals 1 2 3 4 Valence_occupancy 2 2 6 2 End AtomType_Occupancy O Orbitals_Size 2 Valence_Orbitals 1 3 Valence_occupancy 2 4 End