[Pw_forum] calculation for system having number of different species greater than 10

[mohnish pandey]

Thanks a lot Dr. Eyvaz.

On Wed, Dec 22, 2010 at 6:06 PM, Eyvaz Isaev <eyvaz_isaev at yahoo.com> wrote:

> Hi,
>
> Just go to /Modules/parameters.f90, and change ntypx=10 to that you want
> to.
> Then make clean and make pw (or whatever you want to re-compile).
>
> Bests,
> Eyvaz.
>
> -------------------------------------------------------------------
> Prof. Eyvaz Isaev,
> Department of Physics, Chemistry, and Biology (IFM), Linkoping University,
> Sweden
> Theoretical Physics Department, Moscow State Institute of Steel & Alloys,
> Russia,
> isaev at ifm.liu.se, eyvaz_isaev at yahoo.com
>
>
> ------------------------------
> *From:* mohnish pandey <mohnish.iitk at gmail.com>
> *To:* PWSCF Forum <pw_forum at pwscf.org>
> *Sent:* Wed, December 22, 2010 1:30:07 PM
> *Subject:* [Pw_forum] calculation for system having number of different
> species greater than 10
>
> Dear QE users,
>                          I want to do some calculations having number of
> different species greater than 10. I want to know is it possible to increase
> the dimension of QE for more than 10 different species.
>
> --
> Regards,
> MOHNISH,
> -----------------------------------------------------------------
> Mohnish Pandey
> Y6927262,5th Year dual degree student,
> Department of Chemical Engineering,
> IIT KANPUR, UP, INDIA
> -----------------------------------------------------------------
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
>


-- 
Regards,
MOHNISH,
-----------------------------------------------------------------
Mohnish Pandey
Y6927262,5th Year dual degree student,
Department of Chemical Engineering,
IIT KANPUR, UP, INDIA
-----------------------------------------------------------------
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