[DFTB-Plus-User] Parameter files for Ba

Bálint Aradi balint.aradi at bccms.uni-bremen.de
Tue Sep 4 09:22:11 CEST 2012


Dear Vinay,

> The webpage for downloading various Slater-Koster parameter sets
> [http://www.dftb.org/parameters/download/] lists a 'Ba-Ti-P-O-C-H' set
> to be a part of the general purpose parameter set 'matsci'. But I do
> not see the Ba-* or *-Ba parameter files in the downloaded matsci-0-*
> parameter set.
> Am I missing something here or is it a typo on the webpage?

 It was a typo on the web page, sorry. As you can see on the detailed
page of the parameter set, it does not mention anything about Ba any
more. I also corrected it on the overview page. Thank you for reporting it.

  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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