about damping

Run-time issues concerning Yambo that are not covered in the above forums.

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burkzdemir
Posts: 61
Joined: Tue Sep 09, 2014 7:57 pm

about damping

Post by burkzdemir » Sun Feb 07, 2021 12:35 pm

Dear developers,

I would like to apply a small damping up to a certain energy and than a large damping after that energy. Because, transmittance, reflectance, and absorbance are affected a lot for large thicknesses by damping. And in order to reproduce experimental results I need to apply small damping below a certain energy (tail of the dielectric function before first absorption peak). Is this possible?

Regards,
Burak Ozdemir
Post-doc,
University of Ostrava, Ostrava, Czech Republic

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Daniele Varsano
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Re: about damping

Post by Daniele Varsano » Sun Feb 07, 2021 12:58 pm

Dear Burak,
the damping parameter has 2 values. It means that it increase nearly from the first value to the last value in the chosen energy region.
I do not know if this answers to your question.
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/

burkzdemir
Posts: 61
Joined: Tue Sep 09, 2014 7:57 pm

Re: about damping

Post by burkzdemir » Sun Feb 07, 2021 1:04 pm

Thank you, Daniele! I wanted to use two values of damping separated at a certain energy, but I will try to do it as it is implemented in the code.

Regards,
Burak Ozdemir
Post-doc,
University of Ostrava, Ostrava, Czech Republic

Palummo Maurizia
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Location: Dipartimento di Fisica Universita' Tor Vergata Roma
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Re: about damping

Post by Palummo Maurizia » Sun Feb 07, 2021 1:22 pm

Dear Burak
another solution could be to apply a very small broadening with yambo and then convolute the data with lorentzian or gaussian curves with the desired width in the regions you need.
Best
Maurizia
Dipartimento di Fisica
Universita' 'Tor Vergata'
Via della Ricerca Scientifica I
tel.++39-06-72594894
fax.++39-06-2023507
http://www.fisica.uniroma2.it/~cmtheo-group/

ETSF European Theoretical Spectroscopy Facility www.etsf.eu

burkzdemir
Posts: 61
Joined: Tue Sep 09, 2014 7:57 pm

Re: about damping

Post by burkzdemir » Sun Feb 07, 2021 1:44 pm

Thank you, Palummo! I was thinking the same solution by myself right now.

Regards,
Burak Ozdemir
Post-doc,
University of Ostrava, Ostrava, Czech Republic

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