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

[Bálint Aradi]

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 I am a bit outdated regards the new developments of the code, but as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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