[DFTB-Plus-User] References

Bálint Aradi aradi at uni-bremen.de
Mon Apr 1 19:27:26 CEST 2019

Dear Sarah,

> what references should I cite in a paper for using dftb+?

Generally, it would be nice, if you cited following publications:

* The main DFTB+ reference paper , J. Phys. Chem. A, 111 5678 (2007).
[doi: 10.1021/jp070186p]

* The reference paper(s) for the Slater-Koster parameterisation set you
use. Please make sure you mention the name of the SK-set explicitely in
the paper (e.g. mio-0-1), otherwise it would be difficult to reproduce
your results. The reference papers for the SK-sets are listed on dftb.org.

* If any special feature of DFTB+ was really crucial for your research,
you may also consider to cite the corresponding method paper (references
are given in the manual).

Thanks for using DFTB+ and good luck with your paper! ;-)

  Best regards,


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

-------------- next part --------------
A non-text attachment was scrubbed...
Name: signature.asc
Type: application/pgp-signature
Size: 819 bytes
Desc: OpenPGP digital signature
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20190401/86818953/attachment.sig>

More information about the DFTB-Plus-User mailing list