It's ok now. Thank you professor! On Fri, Oct 5, 2012 at 4:19 PM, Paolo Giannozzi <giannozz at democritos.it>wrote:
> > On Oct 5, 2012, at 20:09 , Antonio wrote: > > > I'm trying to obtain a reaction pathway through a neb calculation, > > but I've had a strange problem. After 33 neb iterations, in a > > specific scf interaction, the job doesn't progress (the output > > files doesn't suffer any update), despite the process doesn't stop. > > one of the images (scf calculations) has crashed. In parallel execution, > if something goes wrong for whatever reason, all kind of weird things > may happen. Stop the process, restart from the last recoverable data. > > 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://pwscf.org/mailman/listinfo/pw_forum > -- Ant?nio M. Da Silva Jr. (PhD student) Nucleus of studies in computational chemistry (NEQC) Department of Chemistry Federal *University of Juiz de Fora* (UFJF) - Brazil http://lattes.cnpq.br/0895213089855328 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20121008/cf317a31/attachment.html
