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mitsuaki1987 / fermisurfer

Fermi surface viewer providing multiple representation schemes
https://mitsuaki1987.github.io/fermisurfer/
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Problem in legth of ky and kz in 2D fermisurface #40

Open SubeenLim opened 2 months ago

SubeenLim commented 2 months ago

Dear Developer,

For studying topological material, I often try to calculate 2D fermi surface. Fermisurfer is so useful in this situation. I have some question. I calculated the Fermi surface by creating a slab structure in the [100] direction. I am comparing the 2D Fermi surface of this slab structure with the [100] 2D Fermi surface in the bulk structure.

As shown in the figure below, the bz_line.dat is drawn, with the top image representing the calculation results of the slab and the bottom image showing the calculation results of the bulk structure. problem

First question: Does the bz_line.dat drawn in the slab results represents the bulk 2D BZ? Second question: If so, why do the ky ranges differ between the bulk calculation results and the 2D bulk BZ results from the slab calculations? (The kz range matches perfectly in both figures.)

Below, I have attached pictures for better understanding. schmetic fermisurface cell parameters

Could you help identify what the problem is? Thanks, Best, SB

mitsuaki1987 commented 2 months ago

I think it is better to check the supercell structure. I doubt whether it is really what you plan to compute.