[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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