[Pw_forum] How to confirm the transition state structure
moonfine at mail.sdu.edu.cn
moonfine at mail.sdu.edu.cn
Mon Apr 29 05:13:46 CEST 2013
Dear all,
I am studying NEB to search the transition state.
Now, I have get the TS configuration by NEB calculation. Then I need to carry out frequency analysis to confirm it, How can I do this?
Moreover,how can I get the zero-point energy?
Thank you!
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