[Pw_forum] ultrasoft Cs pseudopotential

Nicola Marzari marzari at MIT.EDU
Thu Jul 1 16:25:49 CEST 2010



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

Suza W wrote:
> Dear QE USERS,
>  
>      QE pseudo site does not have Cs ultrasoft pseudo-potential.
>      Can you anybody help me to get the ultasoft (LDA&GGA) 
> pseudo-potential for Cs?
>      I have got the following link in the forum : 
> http://www.fisica.uniud.it/~giannozz/public/Cs.tar.gz 
> <http://www.fisica.uniud.it/%7Egiannozz/public/Cs.tar.gz>
>      but not able to open this. It seems that the above link is dead.
>      Any help in this regard will be highly appreciated.
>
>  Yours sincerely,
>  
>  Suza W.
>  Ph. D. student
>  RRI, India
>
> ------------------------------------------------------------------------
>
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Prof Nicola Marzari   Department of Materials Science and Engineering
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