[DFTB-Plus-User] Optical properties

[Bálint Aradi]

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,

  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: 819 bytes
Desc: OpenPGP digital signature
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20190128/c905acc2/attachment.sig>