[DFTB-Plus-User] Löwdin Orthogonalization

Georgia Polycarpou polycarpou.s.georgia at ucy.ac.cy
Fri Mar 23 14:54:43 CET 2018


Dear DFTB+ users,

I would like to ask you if it is possible to perform Löwdin Orthogonalization within DFTB+.

Thanks in advance,
Georgia Polycarpou.
University of Cyprus



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