[DFTB-Plus-User] Excitation state calculation

Bálint Aradi aradi at uni-bremen.de
Fri Mar 27 07:49:31 CET 2020


Dear Simin,

> I hope you all are well and healthy.
> I have a question regarding Excitation state calculation.
> Is this type of calculations can be performed on parallel version of DFTB+?

No, unfortunately TD-DFTB is only available in the OpenMP- (thread-)
parallelized DFTB+ currently.

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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