[DFTB-Plus-User] Generating SK files based on published parameter values
Sharma SRK Chaitanya Yamijala
sharmajncasr at gmail.com
Wed Dec 28 20:55:20 CET 2016
Dear DFTB+ members,
Would it be possible to explain how one can generate the SK files based on
the parameters given in a paper? For example, what should I do if I want to
generate tiorg-0-1 from the information given in the J. Chem. Theory
Comput. 2010, 6, 266–278 paper or other SK files based on other published
parameters?
Thanking you for your help,
Sincerely,
Sharma.
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Sharma
http://www.chem.rochester.edu/groups/huo/people/
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