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

[Bálint Aradi]

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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