[DFTB-Plus-User] Parameter files for Ba

Vinay Hegde vinayhegde at jncasr.ac.in
Mon Sep 3 21:36:11 CEST 2012


Hi,

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?

Thanks,
Vinay

-- 

Vinay Ishwar Hegde
Graduate Student
Theoretical Sciences Unit (TSU)
Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR)
Jakkur, Bangalore 560 064
Email: vinayhegde at jncasr.ac.in
Phone: +91-96639-92336


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