[DFTB-Plus-User] Waveplot parameters for sulfur

[Bálint Aradi]

> P.S. I think is good idea to storage exponents and coefficients for
> wavefunctions in SK-files only. As I use SK files from different  authors in
> some of them there is no information about wavefunctions at all.

  You're completely right. Hopefully, in the not too far future, we'll
have the new SK-file format implemented. This will contain a lot more
informations then the current one, among others also the wavefunctions.

  Best regards,

    Bálint


-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/en/~b_aradi


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