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Real part of the electron self energy 
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Joined: Thu Oct 12, 2017 1:28 am
Posts: 2
University: UC Davis
Post Real part of the electron self energy
Dear EPW administrators and users,

I would like to compute the real part of the electron self-energy to see its behavior around the Fermi level. I see that it has already been produced using EPW (for example Fig. 5 (a) in https://arxiv.org/pdf/1005.4418.pdf). I find that in src/selfen_elec.f90, the imaginary part is computed but I don't see a straightforward way to output the real part.

I will really appreciate some help. Am I missing something straightforward?

Thanks and regards,
Soham.


Thu Oct 12, 2017 1:45 am
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Joined: Wed Jan 13, 2016 7:25 pm
Posts: 388
University: Oxford
Post Re: Real part of the electron self energy
Dear Soham,

The real part of the electron-phonon self-energy is printed in the output by default (at least in the most recent version of EPW).

The variable in the routine is called "sigmar_all".

Be aware that this contains only the Fan self-energy (no Debye-Waller term) such that ZPM of the bandgap will not be obtained.

Best,
Samuel

_________________
Dr. Samuel Poncé
Department of Materials
University of Oxford
Parks Road
Oxford OX1 3PH, UK


Thu Oct 12, 2017 2:09 pm
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Joined: Thu Oct 12, 2017 1:28 am
Posts: 2
University: UC Davis
Post Re: Real part of the electron self energy
Dear Samuel,

Thanks. I overlooked it.


Sincerely,
Soham.


Tue Oct 17, 2017 12:33 am
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