Posted by Valera Veryazov on October 15, 2013 at 11:37:43:
In Reply to: Correct energy for active orbitals in RASSCF calculations posted by Evgeniy on October 15, 2013 at 11:31:40:
Evgeniy,
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?
Valera