[gpaw-users] rt-tddft + kpoint
Luca Daumann
luca.daumann at gmail.com
Mon Jan 18 14:19:44 CET 2016
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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