Dear all,
I want to generate pseudopotential for Metal-oxide surface such as ZnO, MgO.
As we know in ZnO, MgO, metal valent state is +2, so when we generate the
pseudopotential, what should we do ? minus 2 electrons? or use all the
electrons?
for example, Mg 1s2 2s2 2p6 3s2 should be  changed to 1s2 2s2 2p6?
If not, what should we take care of ?
Fen

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