[DFTB-Plus-User] TD-DFTB3 calculations

[Bálint Aradi]

Dear Maria,

> So I am wondering if the code only can perform time-dependent
> calculations at the DFTB2 level of theory and not for DFTB3. If that
> is the case, what does the code calculate instead when you request a
> TD-DFTB3?
You get make an excited state calculation on the DFTB2 level, starting
from Kohn-Sham eigenstates resulting from a DFTB3 calculations, so it
will be slightly inconsistent.

  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/


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