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 < [email protected]> 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 [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users
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