[Pw_forum] Basis sets (plane wave)

[Sadegh Ghaderzadeh]

Dear Robert Hembree,

Thank you very much for your attention and guidance.

Regards
Sadegh Ghaderzadeh
Isfahan university of technology

On Tue, Dec 30, 2014 at 9:44 AM, Robert Hembree <hembreerofphysics at gmail.com
> wrote:

> Getting the expansion coefficients isn’t very difficult. I found the
> easiest way for me was to use pw_export.x and then look at the resulting
> xml file. If you dig through the pw_export.x code you can work out how to
> access them more directly.
>
>
>
> Robert Hembree
>
> Quantum Theory Project
>
>
>
> *From:* pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] *On
> Behalf Of *Sadegh Ghaderzadeh
> *Sent:* Tuesday, December 30, 2014 1:11 AM
> *To:* PWSCF Forum
> *Subject:* Re: [Pw_forum] Basis sets (plane wave)
>
>
>
> Dear Axel,
>
> Thanks for reply.
>
> You are right. So I should search for the expansion coefficients in the
> output file, right?
>
> How can I find them in the output file?
>
>
>
> On Tue, Dec 30, 2014 at 8:57 AM, Axel Kohlmeyer <akohlmey at gmail.com>
> wrote:
>
>
> On Dec 30, 2014 5:54 AM, "Sadegh Ghaderzadeh" <sa.ghaderzadeh at gmail.com>
> wrote:
> >
> > Dear QE users,
> >
> > I have a simple question. How can I find the file(s) containing basis
> sets (plane waves)? I mean, where is the file in the installation directory?
>
> There is/are no such file(s). There is no need. The basis sets are
> uniquely defined by the energy cutoff.
>
> Axel.
>
> >
> > Thank in advance
> >
> > Sadegh Ghaderzadeh
> >
> > _______________________________________________
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> > Pw_forum at pwscf.org
> > http://pwscf.org/mailman/listinfo/pw_forum
>
>
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