[Pw_forum] vdW functional not implemented for spin polarized runs

[WANG Wei]

Dear stefano,

Thank you for your reply.  That's OK.

WANG

On 27 April 2011 02:00, Stefano de Gironcoli <degironc at sissa.it> wrote:

> Dear  WANG Wei
>   the vdw-DF functional form is not defined for spin polarized system...
>   if you define, implement and test it, you could even get a nice
> publication out of it. thank you.
> stefano
>
>
> Quoting WANG Wei <wonvein at gmail.com>:
>
> > Dear everyone,
> >
> > I want to investigate the vdW systems with spin polarized calculations.
> > However, I found that the vdW functional is not implemented for spin
> > polarized calculations yet. It would be better if it will be supported in
> > the near future. Thank you.
> >
> > Sincerely yours,
> > WANG
> >
> >
> > +---------------------------------------------------------+
> >
> > Kawazoe's Lab
> > Institute for Materials Research (IMR),
> > Tohoku University2-1-1 Katahira, Aoba-ku, Sendai,
> > Japan
> > +---------------------------------------------------------+
> >
>
>
>
> ----------------------------------------------------------------
>   SISSA Webmail https://webmail.sissa.it/
>   Powered by Horde http://www.horde.org/
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>



-- 
+---------------------------------------------------------+
Vei WANG
Kawazoe's Lab
Institute for Materials Research (IMR),
Tohoku University2-1-1 Katahira, Aoba-ku, Sendai, Japan
Phone: +81-022-215-2057
Fax:   +81-022-215-2052
+---------------------------------------------------------+
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110427/27aeb746/attachment.html>