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

daniele selli daniele.selli at unimib.it
Fri Feb 9 17:11:11 CET 2018


Dear All,

I am a bit outdated regards the new developments of the code, but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

Thank you.

Daniele
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