s.abouelhasab at gmail.com
Wed Apr 3 11:10:00 CEST 2019
Thank you for your reply.
But I can not find Slater-Koster files' references in dftb.org.
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,
> Dr. Bálint Aradi
> Bremen Center for Computational Materials Science, University of Bremen
> DFTB-Plus-User mailing list
> DFTB-Plus-User at mailman.zfn.uni-bremen.de
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