Input for Vibrational Analysis on a TS
Megha Anand
meghaan... at gmail.com
Thu Oct 13 00:21:30 UTC 2016
Dear All,
Please help me with the TS search.
I just performed a transition state search and now I would like to perform
vibrational analysis on the final geometry. Now in the GEO_OPT subsection
of the MOTION section, should I put TYPE as TRANSITION_STATE or
MINIMIZATION?? Do I even need to specify the TYPE in this section?
Thank you for your time and help!
Best regards,
Megha Anand
Post-doctoral Associate
MIT, Cambridge MA 02140
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