[Pw_forum] van der Waals density functional

[lan haiping]

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 ègaux en droits. Les distinctions sociales
> ne peuvent être fondèes que sur l'utilitè commune
> - Article 2 - Le but de toute association politique
> est la conservation des droits naturels et
> imprescriptibles de l'homme. Ces droits sont la libertè,
> la propriètè, la sùretè et la rèsistance à 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://lists.quantum-espresso.org/pipermail/users/attachments/20110113/77dfca99/attachment.html>