Dear all,
In the tutorial "Exciton-phonon coupling and luminescence https://www.yambo-code.eu/wiki/index.ph ... minescence", there is a detailed instruction about how to calculate the phonon assisted luminescence. However, I am confused about how to generate the BSE basis with "p2y". Shall I do the same process as illustrated in the tutorial "Electron Phonon Coupling https://www.yambo-code.eu/wiki/index.ph ... n_Coupling"? Or is there any special post process should I do to import the QE results to yambo? Thank you!
Best,
Jason
How to generate BSE basis in the EPC luminescence
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- jasonhan0710
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How to generate BSE basis in the EPC luminescence
Jason Han
Assistant Professor
Department of Physics
National University of Defense Technology
Hunan, China
Assistant Professor
Department of Physics
National University of Defense Technology
Hunan, China
- claudio
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- Location: Marseille
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Re: How to generate BSE basis in the EPC luminescence
Dear Jason
in order to calculate exciton-phonon matrix elements that are then needed for the luminescence you need:
1) first to calculate electron-phonon coupling matrix elements with QuantumEspresso,
as explained in section
https://www.yambo-code.eu/wiki/index.ph ... x_elements
where you find script for the hBN case.
All the procedure is explained in the tutorial on electron-phonon coupling in details
2) calculate on the same k-grid the Bethe-Saltpeter equation for all momentum Q
as explained in section:
https://www.yambo-code.eu/wiki/index.ph ... e_momentum
than follow the tutorial to mix together electron-phonon and exciton in such a way to get luminescence
best regards
Claudio Attaccalite
in order to calculate exciton-phonon matrix elements that are then needed for the luminescence you need:
1) first to calculate electron-phonon coupling matrix elements with QuantumEspresso,
as explained in section
https://www.yambo-code.eu/wiki/index.ph ... x_elements
where you find script for the hBN case.
All the procedure is explained in the tutorial on electron-phonon coupling in details
2) calculate on the same k-grid the Bethe-Saltpeter equation for all momentum Q
as explained in section:
https://www.yambo-code.eu/wiki/index.ph ... e_momentum
than follow the tutorial to mix together electron-phonon and exciton in such a way to get luminescence
best regards
Claudio Attaccalite
Claudio Attaccalite
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com