[QE-users] Fermi-Surface Nesting

[ukawamura u]

Dear Dr.Kamadurai

Maybe you are using FermiSurfer.
I added function to compute two kinds of nesting function namely
double-delta and Lindhard-type:
https://mitsuaki1987.github.io/fermisurfer/en/_build/html/ops.html#nesting-function
This version was released today.
https://github.com/mitsuaki1987/fermisurfer/releases/tag/2.4.0

Best regards,
Mitsuaki Kawamura

Mitsuaki Kawamura
Data Science Research Division, Information Technology Center, The
University of Tokyo
e-mail: mkawamura at ds.itc.u-tokyo.ac.jp

2023年8月16日(水) 15:06 Ramesh Kumar Kamadurai via users
<users at lists.quantum-espresso.org>:
>
> Dear All
> I am writing to get some clarification about the nesting of the Fermi surface. Since the FS geometry looks complex, I need help understanding it correctly. Sorry for asking non-QE-related question. I have calculated the Fermi surface for a conventional cell and projected it onto the primitive cell. When examining a slice along the 110 direction, I noticed two parallel lines at the boundary's edge. Further in the phonon calculation, I observed phonon softening (imaginary frequency) at the same M point. Is there a connection between this stitching of surfaces on the Fermi surface and the observed phonon softening, and finally, is there a nesting? I am attaching the relevant pictures. Thanks in advance for your suggestion.
>
>  Best regards,
>
> K. Ramesh Kumar
>
>  Assistant Professor
>
> Gandhi Institute of Technology and Management,
>
>  Phone: +91 9895637981, +1 6782419790
>
> Email: kraamesh57 at gmail.com rkamadur at gitam.edu
>
> _______________________________________________
> The Quantum ESPRESSO community stands by the Ukrainian
> people and expresses its concerns about the devastating
> effects that the Russian military offensive has on their
> country and on the free and peaceful scientific, cultural,
> and economic cooperation amongst peoples
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users