[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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> Peter Reinhardt | Maître de Conférences <
> Lab. Chimie Théorique | (HDR) <
> Université Paris VI | <
> 4 place Jussieu, case 137 | Tél.: +33(0)1 44 27 9657 <
> F -- 75252 Paris, France | Fax.: 4117 <
> email: Peter.Reinhardt at upmc.fr <
> Web: http://www.lct.jussieu.fr/pagesperso/reinh <
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