[DFTB-Plus-User] Problem with new 3ob-3-1 library

[Bálint Aradi]

Dear Martin,

> From a visual inspection of the skf libraries it appears we have a sign
> change for one of the C orbitals.

Thank you very much for spotting this. That could have been indeed
unfortunately happened. I'll investigate the issue.

  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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