[DFTB-Plus-User] Born Effective charges
Ben Hourahine
benjamin.hourahine at strath.ac.uk
Thu Nov 29 19:44:07 CET 2012
Hello everyone,
just wondering, has anyone else has ever tried calculating Born
effective charges (or transverse charges
as they are sometimes also known) with DFTB?
Regards
Ben
--
Dr. B. Hourahine, SUPA, Department of Physics,
University of Strathclyde, John Anderson Building,
107 Rottenrow, Glasgow G4 0NG, UK.
+44 141 548 2325, benjamin.hourahine at strath.ac.uk
The University of Strathclyde is a charitable body,
registered in Scotland, with registration number SC015263
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