Posted by Evgeniy on October 15, 2013 at 11:48:07:
In Reply to: Re: Correct energy for active orbitals in RASSCF calculations posted by Valera Veryazov on October 15, 2013 at 11:37:43:
Thanks for your promt response. We would like to get ROHF orbitals. Is there any other way to do a ROHF-like calculation with Molcas?
: The orbital energy for an orbital in active space is not zero - it is not defined (but printed as 0.0).
: Why can't you make UHF calculation instead?
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