First of all it is clear that when you specify-12.0
as separation energy, the Ge 3s states at -12.3 will not be included as
valence. You would need to specify -12.4
However, as far as I remember, there is a "sanity" check for this input
and "unreasonable" values (very low ones) will not
It is not clear why you like to deal with core electrons (3s, 3p) as valence
states ?
by the way, isn't it [Ar] 4s2 4p2 and you suggest something like [Ne] 3s2 3p6
3d10 4s2 4p2
Ciao
Gerhard
DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest
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