[molpro-user] CASSCF energies using FROZEN

[Lorenzo Lodi]

Hello,
I have noticed that in some cases I get lower CASSCF energies when using
FROZEN orbitals than when specifying the same orbitals by CLOSED. I
would like to know if this is caused by convergence to a local minimum
of the CLOSED calculation or if this situation is somehow 'correct'.
Naively, I would expect that keeping orbitals FROZEN instead of CLOSED
would always increase the total energy. Am I wrong?

Lorenzo