[DFTB-Plus-User] References

[Sarah Gamal]

Dear Bálint,
Thank you for your reply.

But I can not find Slater-Koster files' references in dftb.org.

Regards,
Sarah

On Mon, Apr 1, 2019 at 7:27 PM Bálint Aradi <aradi at uni-bremen.de> wrote:

> 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,
>
>   Bálint
>
>
> --
> Dr. Bálint Aradi
> Bremen Center for Computational Materials Science, University of Bremen
> http://www.bccms.uni-bremen.de/cms/people/b-aradi/
>
>
> _______________________________________________
> DFTB-Plus-User mailing list
> DFTB-Plus-User at mailman.zfn.uni-bremen.de
> https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20190403/77a4b995/attachment.html>