Alex Granovsky
gran@classic.chem.msu.su
see $mcscf group/npflg keyword
Regards,
Alex Granovsky
On Mon Dec 7 '15 12:39pm, GrEv wrote
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>Dear All,
>I wonder how one can make Firefly output information on CSF decomposition of the states at each point of SA-MCSCF geometry optimization (i.e. the same info as at a single point calculation)? Thanx!
>Best wishes,
>Evgeniy