Posted by Evgeniy on October 15, 2013 at 11:31:40:
Dear Developers of Molcas,
We are running rasscf calculations for Li (atom), with
one (2s) orbital in the active space (a way to do ROHF calculation). In the output we obtain the orbital energy for this 2s orbital zero. We are wondering if it is possible to get the correct energy for the active orbitals.
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