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! -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130429/4bffb46a/attachment.html
