Dear all, I want to ask a problem, when calculating NEB, we will set k_max and k_min, is there any principles about the settings of k_max and k_min in different systems? I need your help. Many thanks Lihui Ou
-- ====================================== Lihui Ou PH.D Candidate in Electrochemistry College of Chemistry and Molecular Science Wuhan University,430072,Hubei Province,China E-mail:oulihui666 at 126.com ====================================== -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20071225/64435d46/attachment.htm
