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Optimize degenerate states in state-av. MCSCF: GEO-OK no longer supported?
Bernhard Dick
bernhard.dick@chemie.uni-regensburg.de
I used to optimize degenerate states with state-averaged MCSCF setting GEO-OK=.T. in the $GUGDIA group. This seems no longer supported in firefly820. Is there another way?
best regards, Bernhard
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Sun Feb 19 '17 9:51am
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