[Pw_forum] gipaw pseudopotential

[Davide Ceresoli]

Dear Arles,
     I've never worked with In, Cd, and Au. But to compute
EFG's you can use any "PAW" (kjpaw) pseudo from pslibrary.

Best,
     Davide


On 04/09/2016 12:30 PM, Arles V. Gil Rebaza wrote:
> Hi QE users,
>
> I would like calculated the electric field gradient (EFG) for different
> compounds with atoms In, Cd, Au, but i does not found these GIPAW
> pseudopotentials. (QE database and Ceresoli web-page).
>
> If someone have these pseudopotential (tested or not), could you send me please.
>
> Thank in advance.
>
> Best
>
> PhD. Arles V. Gil Rebaza
> IFLP - Argentina.