[DFTB-Plus-User] Is there any parameter set including gold (Au)?

Pu ZHANG puzhang0702 at gmail.com
Wed Sep 24 18:54:37 CEST 2014


Thanks for the info! Looking forward to the new version and TD part as
well.

Best regards, Pu Zhang
--
Postdoc
The group of Structured Electromagnetic Materials
Department of Photonics Engineering
Technical University of Denmark
Ørsteds Plads, Building 345v, 166
2800, Kgs. Lyngby
E-mail: puzha at fotonik.dtu.dk
Homepage: http://www.dtu.dk/Service/Telefonbog/Person?id=91944&tab=0
Phone: 45 25 36 43
Fax: 45 93 65 81

On Wed, Sep 24, 2014 at 5:07 PM, Bálint Aradi <aradi at uni-bremen.de> wrote:

> Dear Pu Zhang,
>
> > By the way, by accident I notice Hotbit has the function of linear
> > response calculation. Is that something similar to the TD-DFTB to be
> > released in DFTB+?
>
> Yes, including additional improvements compared to the original
> formulation. We hope to release it soon, but only after DFTB+ 2.0 is out.
>
>   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/
>
>
>
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>
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