[DFTB-Plus-User] D3 parameters for DFTB+

Bálint Aradi aradi at uni-bremen.de
Mon Mar 7 08:16:06 CET 2016

Dear Kayahan,

> As I read from the manual, only UFF and slater-kirkwood type dispersion corrections have been applied in the code. However, I would like to know if it is possible to use D3 correction parameters used in this publication attached. (http://pubs.acs.org/doi/abs/10.1021/jz500755u) If so, can you please help me how can I use them in the code?

That will be available in the (hopefully comming soon) next release.

  Best regards,


Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen

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