[DFTB-Plus-User] generate sky parameters

[Bálint Aradi]

On 02/28/2014 01:34 PM, Ming-Xing wrote:
> Dear DFTB+ developer,
> 
> Although there are a lot of sky parameters available from the homepage of DFTB+. However,there are many parameters are not available as well. For instance, if I want to do a calculation on topological insulator Bi2Se3 or Fe-based superdoncutors. Then I have to generate sky parameters by myself. Is there any code or implementation available for this business? Thanks a lot.

Currently, we do not offer any code for parameter generation. While the
techical part of the parameter generation is not that complicated, there
are a lot of subtle issues, if one wishes to generate reasonably working
parameters. We are thinking about releasing our tools in the not too far
future, but first we have to make sure, we provide a user interface and
a documentation, to make sure people are not making too much damage with
it. :-)

  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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