GW vs BSE EPS(imag.) amplitude

Concerns issues with computing quasiparticle corrections to the DFT eigenvalues - i.e., the self-energy within the GW approximation (-g n), or considering the Hartree-Fock exchange only (-x)

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Jagjit Kaur
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Joined: Fri Apr 16, 2021 12:51 pm

GW vs BSE EPS(imag.) amplitude

Post by Jagjit Kaur » Fri Aug 12, 2022 9:56 am

Hello,

Thank you for guiding me through the GW spectra calculations. Now I am done with the GW and GW+BSE spectra calculations. But, when I plot them, the amplitudes for both the imaginary dielectric come out to be way different. I have attached the report files for both the calculations.
Kindly let me know what may be going wrong with the calculations.

Regards,
Jagjit
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Jagjit Kaur
Harish-Chandra Research Institute
Allahabad
India

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Daniele Varsano
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Joined: Tue Mar 17, 2009 2:23 pm
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Re: GW vs BSE EPS(imag.) amplitude

Post by Daniele Varsano » Tue Aug 16, 2022 9:33 am

Dear Jagjit,
please see my answer here:

https://yambo-code.eu/forum/viewtopic.p ... 128#p12128

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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