Dear all, I'm trying to perform a NEB calculation following the tips in the user guide, but I don't get scf convergence in the 3rd image so it stops. Is there any trick I can do to get convergence? My input is attached.?
Thanks! Juliana -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120601/18b46f6a/attachment.htm -------------- next part -------------- A non-text attachment was scrubbed... Name: neb.in Type: application/octet-stream Size: 5667 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20120601/18b46f6a/attachment.obj
