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! -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130418/a8e7dbc8/attachment.html
