[DFTB-Plus-User] How to generate s-k files?

[李捷]

Hello, Professor Aradi,
Thank you very much for your reply and information. I definitely would like
to try those files you mentioned but I can't find them from the link you
sent. I appreciate it a lot if you can let me know how can I get them? We
will definitely acknowledge your contribution in any resulting
publications.

Thanks again for your kind help.

Best

Jie

On Mon, May 11, 2015 at 5:40 AM, Bálint Aradi <aradi at uni-bremen.de> wrote:

>
>
> On 05/08/2015 03:43 PM, MF wrote:
> > I have never used it but Materials Studio says it can generate s-k files
> if you have DFTB+ and Dmol. Although, it will cost you $$$. Maybe the
> developers can comment more on this.
>
> That's true, Material Studio contains a nice GUI over the generation
> tools, making it simpler for users to generate SK-files. The tool was
> written by the guys at Accelrys/Biovia, and therefore, it is available
> only as part of Materials Studio (which indeed is not free of charge).
>
> Once we have a similar, well tested, properly working wrapper (although
> non-graphical), it could be released to the public for free of charge.
>
>   Cheers,
>
>    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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