[Pw_forum] gamma_only and noncolin not allowed

[Valentina Cantatore]

Thank you very much for your kind answer.

I thought that turbo_lanczos and turbo_spectrum work only with gamma_only.
Clearly I was wrong.

Thank you.

Valentina


2014-06-23 17:25 GMT+02:00 Paolo Giannozzi <paolo.giannozzi at uniud.it>:

> On Mon, 2014-06-23 at 16:35 +0200, Valentina Cantatore wrote:
>
> > I need gamma_only option for the further calculations. Is there a way
> > to conciliate gamma_only and noncolin?
>
> If the further calculations explicitly need Gamma-specific tricks
> (sure?): no. If however you just need to use k=0 in the noncolinear
> case, without Gamma-specific tricks (such as storing just half of
> the plane waves because the wavefunctions are real), then
>
> K_POINTS tpiba
> 1
> 0.0 0.0 0.0  1.0
>
> will do the job
>
> P.
>
> > Thank you very much for the answer.
> >
> >
> > Valentina Cantatore
> > PostDoc Researcher - Università del Piemonte Orientale (Alessandria,
> > Italy)
> > _______________________________________________
> > Pw_forum mailing list
> > Pw_forum at pwscf.org
> > http://pwscf.org/mailman/listinfo/pw_forum
>
> --
>  Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
>  Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>  Phone +39-0432-558216, fax +39-0432-558222
>
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