[Pw_forum] k_max and k_min
oulihui666 at 126.com
Tue Dec 25 14:15:43 CET 2007
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.
PH.D Candidate in Electrochemistry
College of Chemistry and Molecular Science
Wuhan University,430072,Hubei Province,China
E-mail:oulihui666 at 126.com
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