[gpaw-users] rt-tddft + kpoint

[Ask Hjorth Larsen]

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
>>>
>
>
>
>
>
> _______________________________________________
> gpaw-users mailing list
> gpaw-users at listserv.fysik.dtu.dk
> https://listserv.fysik.dtu.dk/mailman/listinfo/gpaw-users