Hi, This should be the dispersion correction, but not vdW functional scheme
Best, H. On Thu, Jan 13, 2011 at 6:31 PM, Giuseppe Mattioli < giuseppe.mattioli at mlib.ism.cnr.it> wrote: > Dear Vei Wang > Very easy: put > london=.true. > in your pw input file (&system list). > However, carefully check the results! In my experience, they are very good > for > intermolecular interactions only... > > Yours > > Giuseppe Mattioli > > On Thursday 13 January 2011 13:57:38 WANG Wei wrote: > > Hello, every one! I found the Quantume-espresso has been introduced van > der > > Waals density functional (vdW-DF). Who can show an example of the input > > file within vdW-DF? I do not kwon how to peform a vdW-DF calculation. > Thank > > you very much. > > > > > > Best > > Regards, > > > > Vei > > WANG > > > > > > > > +-------------------------------------------------------------------+ > > > > Vei > > WANG > > > > Institute for Materials Research (IMR),Tohoku > > University > > > > 2-1-1 Katahira, Aoba-ku, Sendai, > > Japan > > > > +-------------------------------------------------------------------+ > > > > -- > ******************************************************** > - 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 > -- Hai-Ping Lan Department of Electronics , Peking University , Bejing, 100871 lanhaiping at gmail.com, hplan at pku.edu.cn -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110113/77dfca99/attachment.htm
