[Pw_forum] pseudopotential for Fe and Se
Gianluca Giovannetti
gianluca.giovannetti at gmail.com
Wed Mar 10 16:11:14 CET 2010
>
> Dear All,
>
> i`m new to the PW code. it is only couples of weeks i`m using it.
>
i did some calculations using pseudopotentials: Fe.pbe-sp-van.UPF ,
Se.pbe-van.UPF.
results are very similar to ones i can get with another dft code.
are these pseudopotentials consistent in PW?
thank you.
Gianluca
On Wed, Mar 10, 2010 at 4:09 PM, Gianluca Giovannetti <
gianluca.giovannetti at gmail.com> wrote:
> Dear All,
>
> i`m new to the PW code.
> i did some calculations using
>
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