[QE-users] help: Pseudopotentials PAW_PBE

[Paolo Giannozzi]

The logic (or lack of it) that links a PP file name to its content is
explained here:
   www.quantum-espresso.org/pseudopotentials/naming-convention

Paolo

On Fri, Jun 15, 2018 at 8:00 PM, Franck Ngassamnyakam <
franck.ngassamnyakam at ipcms.unistra.fr> wrote:

> Hi,
>
> I am a new  user of Quantum Espresso user. I would like to remake
> calculations already performed with VASP using the speudoptential PAW_PBE
> and I am confused with the different speudopentiel on the site
> https://www.quantum-espresso.org/pseudopotentials. for example for
> nitrogen N I have two types "N.rel-pbe-n-kjpaw_psl.0.1.UPF" and
> "N.pbe-n-kjpaw_psl.0.1.UPF" same for Mn, F, C, H, Cu, Co, that i want to
> use.
>
> please which should I choose which would be equivalent to PAW_PBE in VASP?.
>
> thank you in advance
>
> Franck O.
>
>
>
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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