Bernhard Dick
bernhard.dick@chemie.uni-regensburg.de
now I check, and I see that it was a MOPAC keyword that was hiding in some unused corner of my brain. I did not optimize degenerate states for years, I only knew it was an "OK" keyword. It is not described in the "firefly-input" files (txt or pdf), but its in the new manual.
sorry for bothering you,
best regards,
Bernhard
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Tue Feb 21 '17 11:51pm![[ Reply ]](/ceilidh-icons/ceil_rep.gif){kind=icon}
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