[Pw_forum] ussp files

artee sharma mailtoartee at gmail.com
Tue Mar 17 11:46:49 CET 2009


Dear Giuseppe,

  thanks for the link. i'll try to generate it.

regards
artee

On Tue, Mar 17, 2009 at 3:17 PM, Giuseppe Mattioli <
giuseppe.mattioli at mlib.ism.cnr.it> wrote:

>  Dear Artee.
>
> First, please provide always your affiliation.
>
> If you need some USPP, try to generate and test it! It is not so difficult
> and you can learn so much about your working tools.
>
> I'm keen (!) on Vanderbilt USPP generation code... You can find it at
>
> http://www.physics.rutgers.edu/~dhv/uspp/
>
> Of course, you can also try the analogous QE tool (look at your
> QE/atomic_doc/ directory). You can use the headers of some available PBE or
> PW91 pseudo to generate your own LDA one.
>
> Yours
>
> Giuseppe
>
>  On Tuesday 17 March 2009 07:30:34 artee sharma wrote:
>
> > Dear all,
>
> > Is anybody using pseudopotential files of LDA (USSP) for Mn and Cr?? If
>
> > possible kindly share.
>
> >
>
> > thanks
>
> > artee
>
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