Energy loss function of finite-q including BSE

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anhhv
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Energy loss function of finite-q including BSE

Post by anhhv » Fri Apr 08, 2022 6:08 pm

Dear Yambo,

Please show me a tutorial for computing q-dependent energy loss function with exciton effect included [Palummo, et al. ACS Energy Lett. 5, 457 (2020)].

Thank you very much,
Anh
Viet-Anh Ha,
Oden Institute for Computational Engineering and Sciences,
https://www.oden.utexas.edu/
The University of Texas at Austin,
https://www.utexas.edu/
201 E 24th St, Austin, TX 78712, USA.
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Daniele Varsano
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Re: Energy loss function of finite-q including BSE

Post by Daniele Varsano » Sat Apr 09, 2022 9:52 pm

Dear Viet-Anh Ha,

*There is not a tutorial yet on finite momentum BSE.
*This topic is not at all related to the importing-databases/PW forum you are posting in.
*Finite momentum BSE works exactly as the q=0 BSE, you just need to indicate the Q indexes you want to calculate the excitonic properties (BSEQptR).

Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
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