[DFTB-Plus-User] stress tensor and dipole moment
전영인
yijhon at uos.ac.kr
Fri Nov 22 04:00:19 CET 2019
Hello,
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+?
Best regards,
Young
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20191122/731c951a/attachment.htm>
More information about the DFTB-Plus-User
mailing list