t;
> À: "Antonio Lorenzo Mariano" ,
> "Quantum ESPRESSO users Forum"
> Envoyé: Mardi 22 Février 2022 13:15:37
> Objet: Re: [QE-users] Ph.x with grimme D3
>
> On Tue, Feb 22, 2022 at 9:38 AM Lorenzo Mariano <
> antonio-lorenzo.mari...@grenoble-inp.fr> w
Antonio Lorenzo Mariano" ,
"Quantum ESPRESSO users Forum"
Envoyé: Mardi 22 Février 2022 13:15:37
Objet: Re: [QE-users] Ph.x with grimme D3
On Tue, Feb 22, 2022 at 9:38 AM Lorenzo Mariano <
antonio-lorenzo.mari...@grenoble-inp.fr> wrote:
I am running phonons calculat
On Tue, Feb 22, 2022 at 9:38 AM Lorenzo Mariano <
antonio-lorenzo.mari...@grenoble-inp.fr> wrote:
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
Lorenzo Mariano" ,
"Quantum ESPRESSO users Forum"
Envoyé: Mardi 22 Février 2022 09:49:18
Objet: Re: [QE-users] Ph.x with grimme D3
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.
Regar
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.mari...@grenoble-inp.fr> wrote:
> Dear QE users,
>
> I am running
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,
