[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
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