[DFTB-Plus-User] STO coefficients for ob2-1-1 SK parameter set

한대호 (화학과/대학원생) dhhan at unist.ac.kr
Tue Oct 30 07:46:50 CET 2018


Dear Developers,


Recently I'm testing the parameter set "ob2-1-1" on DFTB+. I would like to check the form of orbitals, but there's no information of the STO coefficients on dftb.org.


Can I get those coefficients?


Thank you,


Daeho Han
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20181030/53847943/attachment.htm>


More information about the DFTB-Plus-User mailing list