include '/gpfs0/physp2/harrisdt/paw/64bit/MnO_9c/atomdata/Mn/LDA/Mn.atomicdata' include '/gpfs0/physp2/harrisdt/paw/64bit/MnO_9c/atomdata/O/LDA/O.atomicdata' AtomType_Occupancy Mn Orbitals_Size 5 Valence_Orbitals 1 2 3 4 5 Spinup_Valence_Occupancy 1 1 3 0 5 Spindn_Valence_Occupancy 1 1 3 0 0 End AtomType_Occupancy O Orbitals_Size 2 Valence_Orbitals 1 3 Spinup_Valence_Occupancy 1 2 Spindn_Valence_Occupancy 1 2 End