Dear Yambo Developers and users,
I was trying the BSE spectra for a 2D semiconducting material. I have obtained the spectra but have two concerns ragarding the same.
1) The eps values which are obtained are very low .
2) Inspite of being a semiconductor the spectra starts from non zero value.
I donot understand the reason behind this. I am attaching the input files of the 3 steps which I used (and the K points for BSE calculation 42*42*1) and the eps spectra . Looking forward for the response. Thank you in Advance.
Regards,
Ponnappa K. P.
BSE spectra showing very low eps values
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano
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BSE spectra showing very low eps values
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Ponnappa K. P.
Phd Student
Harish Chadra Research Institute, India
Phd Student
Harish Chadra Research Institute, India
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- Posts: 10
- Joined: Sat Sep 07, 2024 7:26 pm
Re: BSE spectra showing very low eps values
I have attached the eps spectra.
Regars,
Ponnappa
Regars,
Ponnappa
You do not have the required permissions to view the files attached to this post.
Ponnappa K. P.
Phd Student
Harish Chadra Research Institute, India
Phd Student
Harish Chadra Research Institute, India
- Daniele Varsano
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Re: BSE spectra showing very low eps values
Dear Ponappa,
https://www.yambo-code.eu/learn/#FAQs
Best,
Daniele
please have a look at the FAQ:1) The eps values which are obtained are very low:
https://www.yambo-code.eu/learn/#FAQs
This is the effect of the Lorentzian smearing, if you reduce it you the non zero absorption at zero energy will disappear.2) Inspite of being a semiconductor the spectra starts from non zero value:
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/
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- Posts: 10
- Joined: Sat Sep 07, 2024 7:26 pm
Re: BSE spectra showing very low eps values
Dear Daniele Varsano,
Thank you, I could fix the problem with your suggestion.
Thank you, I could fix the problem with your suggestion.
Ponnappa K. P.
Phd Student
Harish Chadra Research Institute, India
Phd Student
Harish Chadra Research Institute, India