a) Please check case.outputst to see which states are valence (semicore)
and which are true core states.
Cs=[Xe] 6s1: This is the "chemical" valence of Cs. However, the Cs 5s,p
states are so high in energy, that they are always treated as semicore
(as you have found out yourself). The
Dear SirThank you very much for your inputs. I see on the 18.2 version of
Wien2k and the p-energy parameters does not changes from the version 16.1.
I am aware about the properties how to deal with optic but my concern is to
how to identify the semicore p-states but confused about the RLO
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