[molpro-user] caculation of State-Average CASSCF with different irreducibile representation?

[Peterson, Kirk]

Hi,

there can only be one set of occ and closed cards, so these must be inclusive of all states.  The various wf cards (with perhaps associated state and weight directives) can then follow one after another.

regards,

-Kirk

On Sep 24, 2017, at 7:26 PM, der Anbeter des Geistes <945129408 at qq.com<mailto:945129408 at qq.com>> wrote:

Dear Molpro user's
How to set different {occ,cloesd,wf} option in one State-Average calculation,becasue of the states with different irreducible representation?
Thanks!
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