Dear Prof. Giannozzi, Thanks for your suggestion. Using version 4.3.2 of Quantum Espresso solved the problem I had generating the initial NEB images. With this e-mail I do not only want to thank you, but also make people aware of the need to update to v 4.3.2 in case they encounter a similar problem in the future. This is why I send this e-mail to pw_forum.
Yours sincerely Torstein Fjermestad University of Oslo Norway On Tue, 17 Jan 2012 19:17:52 +0100, Paolo Giannozzi <giannozz at democritos.it> wrote: > On Jan 17, 2012, at 18:51 , Torstein Fjermestad wrote: > >> Does anyone have further suggestions on how to solve this problem? > > first of all, please try v.4.3.2; it contains a few fixes for NEB wrt > v.4.3 > === Doc/release-notes > Fixed in 4.3.2 version > [...] > * NEB: possible problem in parallel execution (if command-line > arguments > are not available to all processors) avoided by broadcasting > arguments > [...] > Fixed in 4.3.1 version > [...] > * NEB + nonlocal exchange (DF-vdW) or hybrid functionals wasn't > working > * NEB: incorrect parsing of intermediate images fixed > === > > 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
