saddle point optimization

[James A.J. Fitzpatrick]

Dear Ramon,,

I as I recall, MRCI and RS2/3 have no analytical derivatives so the 
geometry optimisation has to be done numerically. As for whether you can

do what you want, I do not think it is possible, but I have never 

specifically tried this so I could be wrong.


Good luck,
James.


-- 
James A.J. Fitzpatrick
Laser Chemistry and Dynamics Group
School of Chemistry, Cantock's Close, Bristol BS8 1TS, UK.
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