[Pw_forum] Pseudo Ba

Suza W suza.rri at gmail.com
Fri Jun 18 00:33:50 CEST 2010


Dear all,

 On QE website, only following two GGA pseudos are available for Ba:

 Ba.pbe-nsp-van.UPF<http://www.quantum-espresso.org/pseudo/1.3/UPF/Ba.pbe-nsp-van.UPF>

 Ba.pw91-nsp-van.UPF

>
> Does anyone have a PZ LDA ultrasoft pseudo potential for Ba ?
>
> Thanking you all,
>
>  Suza W
>  PhD student
>  Institute of Raman Research
>
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