GS energy in the bulk configuration: -233.50320695 (Ry) GS energy in the surface configuration: -233.55762890 (Ry) GS energy in the layer(-1) configuration: -233.52789398 (Ry) ------------------------------------------ FS shift for the surface atom: .74013852 (eV) FS shift for the layer(-1) atom: .33574360 (eV)