[DFTB-Plus-User] TD-DFTB

[Bálint Aradi]

Dear Taoufik,

unfortunately, we do not have a chapter in recipes for TD-DFTB, altough,
I agree, that we should. As a first start, you could have a look on some
of the test examples in the source code:

https://github.com/dftbplus/dftbplus/tree/master/test/prog/dftb%2B/timedep

Note, that some of the examples may not be 100% physical, as they are
only there for testing purposes. Nevertheless, they should give you an
idea about the keywords you have to use.

Best regards,

Bálint



On 18.02.20 22:51, toufik esssakhri via DFTB-Plus-User wrote:
> Dear users and developers,
> 
> 
> I am new user of DFTB+ code. I have already succeed to reproduce the
> results provided in “DFTB+ Tutorial on 2D Carbon Materials”.
> 
> May aim is the use of DFTB+ for TD-DFTB excited state calculations.
> 
> Could you, please, give me some information about it? Can you share an
> example?
> 
> 
> Thank you in advance,
> 
> Taoufik
> 
> 
> 
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-- 
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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