[DFTB-Plus-User] pipek-mezey localization

James A Charles charlesj at purdue.edu
Wed Nov 7 16:54:40 CET 2018


Hello,


I had a quick question about the Pipek-Mezey localization in DFTB+. I am familiar with Wannier localization like in Wannier90. This is a localization that yields orthogonal basis functions.

Should pipek-mezey yield orthogonal basis functions?


Thanks,

James
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20181107/58fcfe32/attachment.htm>


More information about the DFTB-Plus-User mailing list