[Pw_forum] PAW or USPP

Suza W suza.rri at gmail.com
Tue Apr 23 09:21:18 CEST 2013


Hi Dr. Yun Wang,

Thank you very much for your kind reply.

I need a Barium GGA-PBE (& LDA) pseudopotential with 20 (including 4d10)
electrons in valence.
Could anyone of you kindly email me the above pseudo?

Ciao,
Suza.

On Tue, Apr 23, 2013 at 12:11 AM, Yun Wang <yun.wang at griffith.edu.au> wrote:

> Hi Suza,
>
>   You can't tell the types of pseudopotentials just according to the
> valence electrons. Actually, the valence electron numbers should be same
> for all the pseudopotentials.
>
> Cheers,
> Yun
>
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