[DFTB-Plus-User] Löwdin Orthogonalization

[Bálint Aradi]

Dear Georgia,

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

Within DFTB+ it is not possible, as it is not needed. However, you have
access to S, H and the eigenvectors, so you can do it yourself, if you
need it for some reasons.

Best regards,

Bálint

-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b-aradi/


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