[gpaw-users] rt-tddft + kpoint

[Luca Daumann]

Dear Ask

could you please give me an example of how to use  time-dependent external
field ?
Is there a way to write the wfns in ASCII format ? In this way one could
modify them and than restart from them in ASCII format.

Luca

2016-01-18 14:34 GMT+01:00 Ask Hjorth Larsen <asklarsen at gmail.com>:

> Maybe use a time-dependent external field?  (I don't know so much
> about the TDDFT code)
>
> 2016-01-18 14:19 GMT+01:00 Luca Daumann <luca.daumann at gmail.com>:
> > Dear Tuomas
> >
> > thank you for you kind answer. Anyway to get a spectra one should apply a
> > kick in a certain direction to the molecular system. The problem is that
> the
> > td_calc.absorption_kick does not work with periodic boundary conditions.
> Is
> > there another way to deform the initial wfns ?
> >
> > Thank you
> >
> > Luca
> >
> > 2016-01-18 12:53 GMT+01:00 Tuomas Rossi <tuomas.rossi at aalto.fi>:
> >>
> >> Dear Luca,
> >>
> >> Yes, real-time propagation with k-points should work out. (I don't have
> >> personal experience on such calculations though.)
> >>
> >> Best regards,
> >> Tuomas
> >>
> >>
> >>
> >> On 17.01.2016 18:30, Luca Daumann wrote:
> >>>
> >>> Dear Developers
> >>>
> >>> is GPAW able to perform  Real-Time-TDDFT calculations in presence of
> >>> K-point grids ?
> >>>
> >>>
> >>> Thank you in advance
> >>> Best Regards
> >>>
> >
> >
> >
> >
> >
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>
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