[Pw_forum] PAW or USPP

[Yun Wang]

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


On Mon, Apr 22, 2013 at 11:22 PM, Suza W <suza.rri at gmail.com> wrote:

> Dear All,
>
> Could you anyone please send me the following pseudopotentials (USPP or PAW or NC) ?
>
> (a) LDA for Barium(Ba) with 6s-5p-5s-4d (total 20 electrons) in valence; and (b) LDA-USPP for Zinc (Zn) with 4s2 (only 2 electrons) in valence.
>
>
> Thanks and regards,
> Suza
>
>
>
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-- 

Dr. Yun Wang
Research Fellow
Centre for Clean Environment and Energy
Griffith School of Environment
Gold Coast Campus, Griffith University
QLD 4222, Australia
Tel:(61-7) 5552 8456
Fax:(61-7) 5552 8067
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