[Pw_forum] Phonon calculations with DFT-D2

Latévi Max LAWSON DAKU max.lawson at unige.ch
Fri Sep 18 12:52:10 CEST 2015


Dear Giuseppe,

I thank you a lot for your kind e-mail.

All the best,
Max


On 18. 09. 15 10:06, Giuseppe Mattioli wrote:
>
> Dear Max
> I'm afraid it is still true, AFAIK.
> HTH
> Giuseppe
>
> Giuseppe Mattioli
> ISM-CNR
> Italy
>
> 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
>>
>>     http://qe-forge.org/pipermail/pw_forum/2015-September/107775.html
>>
>>
>> this seems not feasible in QE-5.2. Could you please confirm?
>>
>>
>> Best regards,
>> Max
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>> Pw_forum at pwscf.org
>> http://pwscf.org/mailman/listinfo/pw_forum
>
>



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