GS energy in the bulk configuration: -233.51395412 (Ry) GS energy in the surface configuration: -233.56515587 (Ry) GS energy in the layer(-1) configuration: -233.53749320 (Ry) ------------------------------------------ FS shift for the surface atom: .69634380 (eV) FS shift for the layer(-1) atom: .32013148 (eV)