Band resolved anisotropic Eliashiberg spectral function

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shunl
Posts: 2
Joined: Wed Sep 04, 2024 6:34 pm
Affiliation: University of Virginia

Band resolved anisotropic Eliashiberg spectral function

Post by shunl »

Dear EPW community,

I am working on a project about MgB2, and I want to extract the Band resolved anisotropic Eliashiberg spectral function (a2f) in terms of sigma band and pi band as shown in the Fig.3(d) from this PRL paper: https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.94.227005.
I know EPW can calculate a2fij but it only considers band index. I am wondering if EPW has the capability to reproduce the Figure in the above paper. Any suggestions from the developers or the users are welcome.

Thank you,
Shunshun Liu
University of Virginia

hpaudya1
Posts: 193
Joined: Tue Mar 21, 2017 7:11 pm
Affiliation:

Re: Band resolved anisotropic Eliashiberg spectral function

Post by hpaudya1 »

Hi Shunshun Liu,

As far as I am aware, the official release version of EPW does not have such features explicitly, as these types of calculations are highly system-dependent. I would suggest identifying the pi and sigma pockets in the Fermi surface. Based on this, you can separate those pockets by imposing restrictions on k and k+q transitions. You can find the relevant code in EPW/src/supercond.f90 under SUBROUTINE evaluate_a2f_lambda. I hope it helps.

Happy EPWing,
Hari

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