[DFTB-Plus-User] calculation with 3ob-freq-1-1

[Bálint Aradi]

Dear Richie,

> dear dftb+ team,
> i tried to start frequency calculations with 3ob-1-1 slater koster
> files. then i found out, that there is a 3ob-freq-1-1 set, especial for
> vibrational analysis. but the files are called *.ske and do not fulfill
> the slater koster files standards.
> how can one use these extension parameters?

I am not sure, where you get this parameters from. When I download the
file 3ob-freq-1-1.tar.gz from the website and extract it, I get normal
SK files with .skf suffix.

  Cheers,

   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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