In the ph.x output file there are no indications that something went wrong. And the error/output file generated by the cluster system that I use is ok, no messages about the use of Grimme-D3.
Regards, Lorenzo ----- Mail original ----- De: "Dr. K. C. Bhamu" <kcbham...@gmail.com> À: "Antonio Lorenzo Mariano" <antonio-lorenzo.mari...@grenoble-inp.fr>, "Quantum ESPRESSO users Forum" <users@lists.quantum-espresso.org> 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. 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 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) > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users