Draw in orbit on the Fermi Surface

[mitsuaki1987]

(2020-05-02 03:40 by GB #84853)
Hi, I used the SKEAF code to obtain the Haas-van Alphen orbit of my material. The SKEAF code returns the list of (kx,ky,kz) coordinates for each orbit. Do you think I could somehow modify my FermiSurfer input file to draw an orbit directly on the Fermi Surface ?

Best regards,

[mitsuaki1987]

(2020-05-02 14:36 by mitsuaki1987 )
Dear GB

Do you need the list of coordinates of each line segment displayed like this https://mitsuaki1987.github.io/fermisurfer/en/_build/html/_images/equator.png ?

best regards,
Mitsuaki Kawamura

[mitsuaki1987]

(2020-05-02 22:20 by GB )
No, I would like to do the inverse operation. Starting from a list of coordinates representing each orbit, I would like to display the line segments as showed in your image. Thank you for your help,

[mitsuaki1987]

(2020-05-03 00:23 by mitsuaki1987 )
Dear GB

So, your "(kx,ky,kz) coordinates" corresponds to the red arrow in the above figure, am I right?

Best regards,
Mitsuaki Kawamura

[mitsuaki1987]

(2020-05-03 01:05 by GB )
Yes, I think they would correspond. To be sure we are referring to the same curves, the colored orbit showed in figures .3, 4 and 5 of the following article are good examples of the orbits I want to draw

https://www.pnas.org/content/114/21/5389/tab-figures-data
Regards,

[mitsuaki1987]

(2020-05-03 01:15 by mitsuaki1987 )
I got it! These extremal orbits are exactly what FermiSurfer displays as a solid black line in here https://mitsuaki1987.github.io/fermisurfer/en/_build/html/ops.html#equator-update-required.

[mitsuaki1987]

(2020-05-03 01:45 by GB )
Maybe it is my misunderstanding, but I do not seem to obtain the expected perpendicular orbit for my Fermi Surface https://drive.google.com/file/d/1MuIsxkAZRkFw0q8Obq-ieQL51x2oZR1y/view?usp=sharing

[mitsuaki1987]

(2020-05-03 01:56 by mitsuaki1987 )
Did you specify (kx, ky, kz) in fractional coordinate as described in the manual?

[mitsuaki1987]

(2020-05-03 02:27 by GB )
Yes. It works well for the section option. The direction (111) that I choose for the equator does match a section perpendicular to the axis passing through the cylinder axis. I would expect the extremal orbit in the same direction to have a shape similar to that cross section.

[mitsuaki1987]

(2020-05-03 15:11 by mitsuaki1987)

the extremal orbit in the same direction to have a shape similar to that cross section.

It depends on the shape of Fermi surface.

Can you provide me your input file?

Best regards,

Mitsuaki Kawamura

[mitsuaki1987]

(2020-05-03 19:19 by GB )
Here is the input file :
https://drive.google.com/file/d/1YVtM6M6Xu4fQ5VSrw9NVh77KP9U4OuL7/view?usp=sharing
Many thanks for your help,

[mitsuaki1987]

(2020-05-06 01:36 by mitsuaki1987)
Thank you for uploading the input file.
The Fermi surface of your system has knobs at the blue regions.
I emphasized these knobs by shifting the Fermi energy to 0.01.
Please see the attached figure:
https://drive.google.com/file/d/1JJdmfPbz7y57Re5qfhFyU03MVoCUU8uP/view?usp=sharing
The extremal orbits cross these knobs.

Best regards,
Mitsuaki Kawamura