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Re: Optimize degenerate states in state-av. MCSCF: GEO-OK no longer supported?

Alex Granovsky
gran@classic.chem.msu.su


Dear Bernhard,

the correct keyword name is WTSOK. It is a logical variable and
should be specified in either $DET group (for CISTEP=ALDET)
or in $GUGDM2 group (for CISTEP=GUGA).  

The GEO-OK option has not been ever existing.

Kind regards,
Alex Granovsky



On Sun Feb 19 '17 9:51am, Bernhard Dick wrote
---------------------------------------------
>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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