[DFTB-Plus-User] Optical properties

Bálint Aradi aradi at uni-bremen.de
Mon Jan 28 11:33:03 CET 2019

Dear Sarah,

> How can I use DFTB+ to calculate different optical properties for a 
> specific structure?

That's very generic question, so difficult to answer. But you can
calculate excitations energies using time dependent DFTB. See the
ExcitedState keyword in the manual.

  Best regards,


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

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