A problem with the MCSCF active space

[Aristotle Papakondylis]

Dear molpro community,

Does anybody know if there is a way to prevent a core orbital from entering the active space while simultaneously moving a valence active orbital into the "closed" space? The "rotate" instruction has no effect, as the calculation rotates the orbitals again and returns to the same situation.

Thank you for your help

Aristotle

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Aristotle Papakondylis
Associate Professor
Physical Chemistry Laboratory
Department of Chemistry
National & Kapodistrian University of Athens
Panepistimiopolis Zografou
15771 Athens, Greece
Phone:(+30210)7274565
e-mail: papako...@chem.uoa.gr
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