Dear Prof. Giannozzi, I mean that I have no idea about the error methioned above. I do not the reason for it . Thank you.
On 26 April 2011 21:16, Paolo Giannozzi <giannozz at democritos.it> wrote: > > On Apr 26, 2011, at 12:49 , WANG Wei wrote: > > > I have no idea about calculating NEB with QE 4.3. > > so why are you using NEB if you have "no idea"? > > > I used the following commands to perform NEB calculations, but > > error occurred > > > > ~/bin/neb.x <neb.in> log.neb > > you cannot use this syntax any longer: > http://www.quantum-espresso.org/user_guide/node29.html > Use "~/bin/neb.x -inp neb.in" > > P. > --- > Paolo Giannozzi, Dept of Chemistry&Physics&Environment, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- +---------------------------------------------------------+ Vei WANG Kawazoe's Lab Institute for Materials Research (IMR), Tohoku University2-1-1 Katahira, Aoba-ku, Sendai, Japan Phone: +81-022-215-2057 Fax: +81-022-215-2052 +---------------------------------------------------------+ -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110426/bc56e468/attachment.htm