[Pw_forum] PAW pseudopotentials

[Ifeanyi John ONUORAH]

follow this link

http://www.quantum-espresso.org/pseudopotentials/pslibrary/

2016-06-11 19:28 GMT+02:00 Mohssine El Bachra <mohssmpi at gmail.com>:

> Dear QE users,
>
> I have not found in the site quantum-espresso.org
> <http://s.bl-1.com/h/1dKh6Vg?url=http://quantum-espresso.org/> the
> pseudopotentials (PAW) for the atom of Barium and Zirconium.
> I want a pseudopotential that has these characteristics:
>
> Pseudopotential type: PAW
> Method: Projector Augmented-Wave (Kresse-Joubert paper)
> Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
> Nonlinear core correction
> scalar relativistic
>
>
> thank you in advance,
>
>
> ----------------------------------------------------------------------------------
> Mohssine EL BACHRA.
> PhD student in the Faculty of Science Rabat Morocco.
> Laboratory of Magnetism and Physics of High Energy (LMPHE)
>
>
>
>
>
> ᐧ
>
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