Dear developers,
I am running GW+BSE calculation with yambo-4.4.0 and getting the dielectric function. But in the output there are three different dielectric functions for both real and imaginary parts. eps, eps_0, and eps', what do they mean? What is the difference?
Regards,
GW+BSE three different dielectric functions in the output
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burkzdemir
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GW+BSE three different dielectric functions in the output
Burak Ozdemir
Post-doc,
University of Nantes, France
Post-doc,
University of Nantes, France
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Daniele Varsano
- Posts: 3816
- Joined: Tue Mar 17, 2009 2:23 pm
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Re: GW+BSE three different dielectric functions in the outpu
Dear Burak Ozdemir,
EPS is the BSE spectra
EPS0 is the Independent particle spectra (no e-h interaction)
EPS' it is in the the output as you used Haydock algorithm to diagonalize the BSE which is in iterative approach and you have the last spectra obtained before convergence, this should be very similar to EPS for converged results.
Best,
Daniele
EPS is the BSE spectra
EPS0 is the Independent particle spectra (no e-h interaction)
EPS' it is in the the output as you used Haydock algorithm to diagonalize the BSE which is in iterative approach and you have the last spectra obtained before convergence, this should be very similar to EPS for converged results.
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/
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/