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Re: Question on optimization of conical intersections using method CONIC

Alex Granovsky


please read the fine manual, pages 303 - 306

Hope this helps.

Kind regards,
Alex Granovsky

On Tue Mar 15 '16 4:03pm, GrEv wrote

>I am interested the procedure that searches for conical intersections and would like to ask a few questions regarding the optimization with method=CONIC implemented in FF. I wonder what are the criteria of the end of the search? Are these the threshold of the effective gradient and the threshold of the energy gap (SHIFT parameter in the group $CONIC)?
>Many thanks!


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