[DFTB-Plus-User] stress tensor and dipole moment

Bálint Aradi aradi at uni-bremen.de
Fri Nov 22 12:10:44 CET 2019

Dear Young,

> I'd like to know the stress tensor of a crystal system and/or the dipole
> momnet of a molecule.
> Can I calculate these values using dftb+?

Of course. :-)  You find them in detailed.out.

Best regards,


Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen

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