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

[Bálint Aradi]

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,

Bálint

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


-------------- next part --------------
A non-text attachment was scrubbed...
Name: signature.asc
Type: application/pgp-signature
Size: 833 bytes
Desc: OpenPGP digital signature
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20191122/2f1d9282/attachment.sig>