Hi All, I am rather new to modelling. I am analysing XPS results on ZnO and particularly from the data, I am getting Zn 2p 1/2 and Zn 2p 3/2 due to spin orbit splitting. May I know for Dmol (which I know its possible to calculate core level) is able to calculate Zn 2p 1/2 and Zn 2p 3/2 individually instead of only Zn 2p? If its possible, what would be the approach?