[DFTB-Plus-User] Au-C Slater-Koster files

Bálint Aradi balint.aradi at bccms.uni-bremen.de
Mon Nov 18 09:16:59 CET 2013

Dear Nadia Salami,

> I want to calculate the transpor properties of cnt with Au electrodes.
> I would like to ask from where I can get the Slater-koster files of gold
> with the mio group of atoms. Did anyone write the Slater-Koster of gold
> with carbon? Could you advise me for this, please?

At the moment, there are no publicly available gold sets on top of the
mio set as far as I am aware of. We are sort of in the process to create
one, but the work did not finish yet. Once it did and the set had been
published, it will be available on DFTB.ORG. An appropriate announcement
email will be sent to the DFTB-Announce list as usual

  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: 263 bytes
Desc: OpenPGP digital signature
URL: <http://www.dftb-plus.info/pipermail/dftb-plus-user/attachments/20131118/caf312f8/attachment.pgp>

More information about the DFTB-Plus-User mailing list