[Pw_forum] ultrasoft Cs pseudopotential

[Suza W]

 Dear Nicola,

 Thanks a lot for your reply. The pseudo mentioned by you has one electron
in valence. However,
 from PW-FORUM, I came to know that it might be better to use 9 valence
electrons in case of Cesium (Cs).
 May I get a Cs Ultra-soft  PP (LDA & GGA), preferably with 9 electrons in
valence, from your USPP collection?

 Yours sincerely,
 Suza

On Thu, Jul 1, 2010 at 4:25 PM, Nicola Marzari <marzari at mit.edu> wrote:

>
>
> Dear Suza W,
>
> There is a norm-conserving PBE pseudo on the website, with all the
> details needed to
> generate again using LDA.
>
> Alkali metals have very soft pseudopotentials to begin with, so you
> should be fine.
>
>
>                nicola
>
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