[molpro-user] Energies of different states with MCSCF.
addiw7 at googlemail.com
Sun Oct 5 14:54:58 BST 2014
Dear molpro users,
Can anyone explain to me why I get exactly the same energy when I use either
state, 1, 1
state, 1, 2
Just look at my output files with inputs differing only with this state
What I expect is to get the energy and wavefunction of states 1 and 2,
respectively for above inputs.
Links to outputs:
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