​dear GavinThank a lot for your reply.
But i have an question. Sometimes there are more than one gap in DOS. Now
which gap must be considered as separation gap (i.e separate of valence and
semi-core) or esepar0.Can the value of energy that mentioned in scf2 as "Energy
to separate low and high energystates: -1.200" be considered as a criteria to
find this gap.I mean the gap after this value be as a esepar0.
thank you in advanse.
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