Alex Granovsky
gran@classic.chem.msu.su
strictly speaking, this statement means that a stationary point was
located (i.e. the point where gradient is zero). This statement does
not mean that the stationary point which was located is a minimum.
To check this, you need to perform Hessian computations as suggested
by Luca.
Kind regards,
Alex Granovsky
On Thu Dec 27 '12 8:49pm, Luca Maidich wrote
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>Dear Siddheshwar,
>the only way I know for being sure that you correctly found a stationary point is to run a frequency analysis job. It is a tedious job but it has to be done.
>Two considerations:
>a) if you loose too much OPTTOL value your optimization could lead to non-meaningful results;
>b) are you sure that what you are doing now is NOT more tedious than running optimization+frequency jobs? :)
>Kind Regards
>Luca