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Re: State-averaged CIS orbitals

Alex Granovsky
gran@classic.chem.msu.su


Dear Lello,

here you can find sample files and instructions for state-averaged CIS NOS generation:

http://classic.chem.msu.su/gran/gamess/forum/attach/cisnos_averaged.rar

All the best,
Alex


On Sat Sep 28 '13 8:56am, lello wrote
-------------------------------------
>Deal All,

>in a few posts it is mentioned that one of the possible choices
>of the MCSCF starting guess is to use state-averaged CIS orbitals.
>I searched in the forum to find a way to compute them but without
>success.

>Could someone please post the procedure to obtain state-averaged CIS
>with FF?

>Thanks in advance,
>Lello


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