Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
Re^5: Error: Failure to locate stationary point. Too many steps taken..
Luca Maidich
luca.maidich@gmail.com
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
Thu Dec 27 '12 8:49pm
This message read 804 times