[DFTB-Plus-User] grimme d3 dispersion in a MPI version of dftb+

[daniele selli]

That's a great news!

Thanks

D.

2018-02-09 17:29 GMT+01:00 Bálint Aradi <aradi at uni-bremen.de>:

> Dear Daniele,
>
>
> > I am a bit outdated regards the new developments of the code, but as
> > far as I know, the only MPI version is for the dftb+1.2 code.
> >
> > On the other hand if I want to use grimme's d3 dispersion
> > correction, I have to use the dftb+1.3 code.
> >
> > So the question is, is there now the possibility to use d3
> > dispersion correction with an MPI implementation of the code?
>
> You can download the current development version from github:
>
> https://github.com/dftbplus/dftbplus
>
> It contains MPI parallelisation and Grimmes D3 dispersion. An official
> release (DFTB+ 18.1) based on the current development version should
> come in max. 2 weeks time.
>
>   Best regards,
>
>   Bálint
>
> --
> Dr. Bálint Aradi
> Bremen Center for Computational Materials Science, University of Bremen
> http://www.bccms.uni-bremen.de/cms/people/b-aradi/
>
>
>
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