[QE-users] Ph.x with grimme D3

[Dr. K. C. Bhamu]

If you check the output file or error file, you will see a message that
grimme-D3 correction is not implemented in ph.x.

I use grimme-D2 correction.


Regards
Bhamu

On Tue, Feb 22, 2022, 5:38 PM Lorenzo Mariano <
antonio-lorenzo.mariano at grenoble-inp.fr> wrote:

> Dear QE users,
>
> I am running phonons calculations using QE 6.4. When I use PBE+D3,
> everything converges without any warning or error message even if
> phq_readin.f90 is supposed to complain because of the use of grimme-D3
> correction. Am I computing phonons with PBE-D3 or not?
>
> Best regards,
>
> L. Mariano,
> Simap laboratory
> Grenoble (France)
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