[DFTB-Plus-User] TD-DFTB

[Andrea Pedrielli]

Il giorno mercoledì 19 febbraio 2020, toufik esssakhri via DFTB-Plus-User <
dftb-plus-user at mailman.zfn.uni-bremen.de> ha scritto:

> Dear Dr. Bálint,
>
> Thank you very much for your reply,
> I will give it a try!
> An other question please, how to calculate the optical properties (dielectric
> function,
> absorption coefficient, optical reflectivity, refractive index...)?
>
> Best Regards,
> Taoufik
>
> ------------------------------
> *De :* DFTB-Plus-User <dftb-plus-user-bounces at mailman.zfn.uni-bremen.de>
> de la part de Bálint Aradi via DFTB-Plus-User <dftb-plus-user at mailman.zfn.
> uni-bremen.de>
> *Envoyé :* mercredi 19 février 2020 07:55
> *À :* dftb-plus-user at mailman.zfn.uni-bremen.de <
> dftb-plus-user at mailman.zfn.uni-bremen.de>
> *Cc :* Bálint Aradi <aradi at uni-bremen.de>
> *Objet :* Re: [DFTB-Plus-User] TD-DFTB
>
> 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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> > DFTB-Plus-User at mailman.zfn.uni-bremen.de
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> listinfo/dftb-plus-user
> >
>
>
> --
> 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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