[DFTB-Plus-User] SK tables for As-O and As-C

[Bálint Aradi]

Dear Ganapati,

> I need parameters for As-O and As-C interactions. The available
> chalco and hybrid SK sets on dftb.org <http://dftb.org> only  have
> As-S-H  and Ga-As-S-H interactions. I could not find any other
> references in the literature. Please advise on how to obtain or on
> the method to generate As-O and As-C parameters.

We are working on preparing the parameter generators for being publicly
available in the next DFTB+ release, planned in about two months time. I
hope, that would still fit into your schedule.

  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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