[Pw_forum] frequency analysis for transition state
Rui Li
moonfine at mail.sdu.edu.cn
Thu Apr 18 04:03:18 CEST 2013
Dear all,
I am studying NEB to search the transition state.
Now, I have get the TS configuration which has the highest energy. How can I get the frequency to confirm it?
Moreover,how can I get the zero-point energy?
Thank you!
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