[Pw_forum] ultrasoft Cs pseudopotential

[Nicola Marzari]

Suza W wrote:
>
>
>  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


Dear Suza,

the few psuedos we generated are all public, and I do not have a Cs with 
9 electrons -
neither norm-conserving nor USPP.

The one on the database has non-linear core corrections, so it should be 
quite good.
Other option for you is to learn on how to generate pseudos - there is
a tutorial by Andrea Dal Corso on the quantum=espresso page (Santa Barbara
school).

             nicola


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