[Pw_forum] xc functional, again..

[marsamos at democritos.it]

Dear Fefe, you can look at dft_shortname in file Modules/funct.f90.

bests

Layla


Quoting iori at theory.polytechnique.fr:

> Hi all.
> Maybe my question have already found an answer here ( that unfortuntely I
> can't find at the moment), so:
>
> I know I can force pw to use some xc functional, with
> input_dft="somefunctional".
> In the Modules/functionals.f90 source files I have the list.
> But, which is exactly the set of flag I can use to select the functionals?
> and which of them are implemented among the list starting at line 75 in
> this source file?
>
> If some of you already replied to this kind of question, just send me
> corresponding link. I will look at that.
>
> Thanks a lot.
> federico iori.
>
> Dr. Federico Iori, PhD!
>
> Laboratoire des Solides Irradiés,
> Ecole Polytechnique - CEA/DSM, CNRS
> 91128 Palaiseau, France
>
> www.etsf.polytechnique.fr
>
> phone: +33 (0) 1 69 33 44 85
> emails: federico.iori @ polytechnique.edu
>        iori.federico @ unimore.it
> http://www.pdmodena.it/
> http://www.comune.mo.it
>
>
>
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-- 
Dr. L. Martin-Samos
tel. +39 040 3787 429
CNR-DEMOCRITOS and
International School for Advanced Studies (ISAS-SISSA)
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