[molpro-user] MCSCF orbitals

Peter Reinhardt reinh at lct.jussieu.fr
Mon Apr 2 08:48:50 BST 2007


Dear colleagues,
after a successful MCSCF I have a list of configurations, and I should
have a set of orbitals. But how do I save/print these orbitals without
producing either natural, pseudo canonical or localized ones ?? I would
like to have just the orbitals in which my important configurations
are expressed, without orbital energies (pseudo canonical) or occupation
numbers.

Yours,
   Peter Reinhardt

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