Fermi surface calculation

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jeonghoon_hong150
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Fermi surface calculation

#1 Post by jeonghoon_hong150 » Fri Jan 06, 2023 3:05 am

Dear VASP users,

I would like to calculate and draw fermi surface using VASP code.
I found how to plot the Fermi surface using Xcrysden with bxsf file, but I want to plot 2D Fermi surface plane with Gnuplot or python. (the form of pdf or png)

Are the way (code) to produce Fermi surface plane (text file) directly from the Eigenval file or to draw bxsf file using gnuplot?

Any comments and advice will be greatly appreciated.
Thanks in advance.

andreas.singraber
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Re: Fermi surface calculation

#2 Post by andreas.singraber » Wed Jan 11, 2023 1:39 pm

Hello!

Unfortunately neither VASP nor py4vasp offer the functionality to plot Fermi surfaces. However, I found these two projects on Github which seem to take VASP output files as input and allow to draw Fermi surfaces with python:

1.) https://fermisurfaces.github.io/IFermi/index.html
2.) https://github.com/QijingZheng/VASP_FermiSurface

Please note that these pieces of software are not affiliated with VASP, we have not tested them and cannot give any support. If you try them, it would be great if you could give some short feedback whether they did work for you. Thank you!

Best,
Andreas Singraber

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