2d kmesh in kx-kz plane with ky perpendicular

[phyjagjit]

Hello,

I want to generate 2D kmesh for spin texture calculations. But I want the spin texture in kx-kz plane with ky perpendicular to it. But in the documentation and example I could find the following codepyprocar.generate2dkmesh(x1,y1,x2,y2,z,num_grids_x,num_grids_y) This is for points around gamma point with x-y plane and z in perpendicular direction. I am unable to figure out how to create 2D kpoints in x-z plane and y in perpendicular direction.

Regards, Jagjit

[phyjagjit]

Hi, I changed the source script to generate 2D kmesh in x-z plane perpendicular to y-axis. But what changes has to be done in scriptFermi2D.py to get the correct spin texture in x-z plane.?

[uthpalaherath]

Dear phyjagjit,

In order to change the plane for spin texture, you will have to do a rotation as explained here: https://romerogroup.github.io/pyprocar/user-guide/fermi2d.html

Check the section, "Translate and Rotate the 2D KPOINT mesh".

Let me know if that helps.

Best, Uthpala

On Mon, Jun 12, 2023 at 4:12 AM phyjagjit @.***> wrote:

Hi, I changed the source script to generate 2D kmesh in x-z plane perpendicular to y-axis. But what changes has to be done in scriptFermi2D.py to get the correct spin texture in x-z plane.?

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[xiuyaolang]

Dear Uthpala,

I am trying to get the spin texture for the same rotation configuration. I added rotation=[90,1,0,0] in pyprocar.fermi2D, the fermi surface shows up successfully if I set spin_texture= False. But nothing shows up if I set spin_texture= True. Could you kindly share your thought about this problem?

Thanks, Xiuyao