[DFTB-Plus-User] Waveplot parameters for sulfur

[Vladimir Yushkevich]

Dear, Ben

You can find this parameters by using following set:
http://www.dftb-plus.info/fileadmin/DFTB-Plus/public/tools/waveplot/wfcs/wfc.mio-0-1.hsd
But be sure that you use appropriate SK files.
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.

Best regards, Vladimir

2010/12/10 Benjamin Woiczikowski <benjamin.woiczikowski at kit.edu>

> Dear DFTB+ Users,
>
> can anyone provide waveplot parameters for sulfur?
> Any help is appreciated.
>
> Best regards
> Ben
>
> --
> Karlsruhe Institute of Technology (KIT)
> Theoretical Chemical Biology
>
> Dipl. Chem. Benjamin Woiczikowski
> PhD-Student
>
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>
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>
> KIT – University of the State of Baden-Wuerttemberg and
> National Laboratory of the Helmholtz Association
>
>
>
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