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

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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.? — Reply to this email directly, view it on GitHub <#109 (comment)>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/AG3ZXMJM22UGHEEE4KQDCYTXK3FOJANCNFSM6AAAAAAZB54L24> . You are receiving this because you are subscribed to this thread.Message ID: ***@***.***>

-- Uthpala Herath, Ph.D. Postdoctoral Associate Department of Mechanical Engineering and Materials Science Duke University Durham, NC Tel. (304) 216-2535 Email: ***@***.*** Website: https://uthpalaherath.github.io/