[Q-e-developers] DFT+D3, D3BJ ?

Davide Ceresoli davide.ceresoli at cnr.it
Wed Jun 15 13:31:47 CEST 2016


Very good, thanks! I'll wait for it.
D.


On 06/15/2016 12:52 PM, Paolo Giannozzi wrote:
> Yes, somebody is working on it, stay tuned
>
> Paolo
>
> On Wed, Jun 15, 2016 at 12:22 PM, Davide Ceresoli
> <davide.ceresoli at cnr.it> wrote:
>> Dear all,
>>       is anyone already implementing the Grimme D3 and D3BJ
>> variations of empirical dispersion? I came across to a library
>> by Balint Aradi (https://github.com/aradi/dftd3-lib) that
>> could be included in QE.
>>
>> Best,
>>       Davide
>>
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