[DFTB-Plus-User] Slater-Kirkwood dispersion corrections

[Bálint Aradi]

> Its due to the lack of a smooth switching function for the formalism
> between different atomic hybridization states. There is no intrinsic
> reason not to be able to calculate the stress tensor for this dispersion
> model, but this was not added.

Just a short addition: We are assembling the binary for release 1.3
right now. It contains DFT-D3 dispersion, which performs probably better
than Slater-Kirkwood, and stress tensor there can be calculated without
any problems.

  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/


-------------- next part --------------
A non-text attachment was scrubbed...
Name: signature.asc
Type: application/pgp-signature
Size: 836 bytes
Desc: OpenPGP digital signature
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20160706/6b8717d2/attachment.sig>