[QE-users] HSE calculations (Mona Asadinamin)

[Marcelo Albuquerque]

I forgot to indicate the second point out of my last message, which is that
you can perform the variable cell calculation without hybrid correction,
using the same XC functional used by your pseudopotentials.
Then, you can apply the first point I mentioned before.

Bests.

*       Marcelo Albuquerque*



On Mon, Aug 31, 2020 at 9:53 PM Marcelo Albuquerque <marcelofilho at id.uff.br>
wrote:

> Dear Mona,
>
> Firstly, I think your problem has to do with the calculation variable. You
> could try setting it as 'scf'.
> I'm not sure, actually, but I think it is not possible to perform a
> variable cell calculation using hybrid correction.
>
>
> Best wishes.
>
> *           Marcelo Albuquerque*
>
> *              Ph.D. Student*
>
> *Instituto de Física (Physics Institute IF-UFF)*
>
> *    Universidade Federal Fluminense (UFF)*
> *           Niterói/RJ - Brazil*
>
>
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