Giuseppe Mattio, Thank you for your reply. On 30 June 2011 17:36, Giuseppe Mattioli <giuseppe.mattioli at mlib.ism.cnr.it>wrote:
> > It is! The neb.x wrapper (yes, there is a new implementation of the NEB > scheme > since the QE 4.3 version...) perform NEB calculations by using pw.x as scf > engine. You can force the input_dft="vdw-df", as usual. > HTH > > Giuseppe > > > On Thursday 30 June 2011 08:01:11 WANG Wei wrote: > > Dear QE users, > > > > I note that the vdW-DF is not implemented in MD calculations (md, vc-md, > > and cp)? is it possible to perform NEB calculations using vdw-DF? > > > > Sincerely yours > > WANG > > > > -- > ******************************************************** > - Article premier - Les hommes naissent et demeurent > libres et ?gaux en droits. Les distinctions sociales > ne peuvent ?tre fond?es que sur l'utilit? commune > - Article 2 - Le but de toute association politique > est la conservation des droits naturels et > imprescriptibles de l'homme. Ces droits sont la libert?, > la propri?t?, la s?ret? et la r?sistance ? l'oppression. > ******************************************************** > > Giuseppe Mattioli > CNR - ISTITUTO DI STRUTTURA DELLA MATERIA > v. Salaria Km 29,300 - C.P. 10 > I 00015 - Monterotondo Stazione (RM) > Tel + 39 06 90672836 - Fax +39 06 90672316 > E-mail: <giuseppe.mattioli at ism.cnr.it> > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110630/84886574/attachment.htm
