[Pw_forum] Phonon calculations with DFT-D2
Latévi Max LAWSON DAKU
max.lawson at unige.ch
Fri Sep 18 12:52:10 CEST 2015
I thank you a lot for your kind e-mail.
All the best,
On 18. 09. 15 10:06, Giuseppe Mattioli wrote:
> Dear Max
> I'm afraid it is still true, AFAIK.
> Giuseppe Mattioli
> Quoting Latévi Max LAWSON DAKU <max.lawson at unige.ch>:
>> Dear QE users,
>> I'm interested in doing phonon calculations with a DFT-D2 functional.
>> From my understanding of the mm_dispersion module in QE-5.2 and the
>> reading of this recent discussion
>> this seems not feasible in QE-5.2. Could you please confirm?
>> Best regards,
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
More information about the users