[QE-users] Ph.x with grimme D3
Lorenzo Mariano
antonio-lorenzo.mariano at grenoble-inp.fr
Tue Feb 22 09:38:22 CET 2022
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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