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

Kayahan Saritas kayahan at mit.edu
Sun Mar 6 13:47:58 CET 2016


Dear DFTB+ users,

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?

Thanks,
Kayahan
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20160306/a4bd9ed6/attachment.html>


More information about the DFTB-Plus-User mailing list