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Static electric field in yambo_nl
Posted: Thu Dec 12, 2024 9:52 am
by javad
Dear Yambo Developers
I saw in a recent publication
SciPost Physics Core 7 (4), 081
https://www.scipost.org/SciPostPhysCore.7.4.081
that Yambo_nl was used to calculate the response in presence of an external static electric field.
My question is how to setup such static electric field in yambo_nl?
with best regards
Javad
Re: Static electric field in yambo_nl
Posted: Mon Dec 16, 2024 11:20 am
by S_Grillo
Dear Javad,
Sorry for the late reply. I am one of the authors of the paper you posted.
I will be glad to help you.
The static external electric field you are referring to is not part of the calculations with YAMBO.
This must be applied during the previous DFT calculations. We did this in order to break the inversion symmetry in a system (bilayer MoS2) which otherwise could not host even-order non-linear response.
The electric field that you apply in the YAMBO code is not static (it is indeed time-dependent) and it is used as a perturbation to generate the (non-)linear response at all orders.
You can find more details here:
https://wiki.yambo-code.eu/wiki/index.p ... with_Yambo
https://wiki.yambo-code.eu/wiki/index.p ... _of_2D-hBN
Best,
Simone
Re: Static electric field in yambo_nl
Posted: Wed Dec 18, 2024 9:56 am
by claudio
For more details you can also have a look to the PhD thesis of Simone Grillo
https://wiki.yambo-code.eu/wiki/images/ ... D_2425.pdf
best
Claudio