[molpro-user] Closed-shell orbitals
addiw7 at googlemail.com
Sun Feb 9 14:27:25 GMT 2014
Dear molpro users,
I would like to ask whether I understood correctly the following statement
in the 20.2.2 chapter of manual:
"If no CORE card is given, the program uses the same core orbitals as the
last CI calculation; if there was none, then the atomic inner shells are
taken as core."
Does it mean that by default all of the atomic inner shells will be taken
as frozen if I don't use CORE directive at all in my input file?
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