[DFTB-Plus-User] Has time-dependent DFTB been implemented in DFTB+?

[Bálint Aradi]

Dera Pu Zhang,

> I would like to try to use this code to calculate optical spectrum. It
> seems the time-dependent part has been under development. Has it been
> released? 

No, it had not been officially released yet. We are in the process to
improve the original formulation, in order to be qualitatively able to
describe some features, the original formulation could not deliver. (See
DOI: 10.1021/ct400123t). Unfortunately, forces are not implemented for
the extension yet. :-(

  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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