[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
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