Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

keyword input ["Unity"] or input ["Anniversary"] #4

Open
kaiqi-wang opened this issue Apr 30, 2023 · 1 comment
Open

keyword input ["Unity"] or input ["Anniversary"] #4

kaiqi-wang opened this issue Apr 30, 2023 · 1 comment

Comments

@kaiqi-wang
Copy link

kaiqi-wang commented Apr 30, 2023

Dear zeying,

I would also like to ask you about how to determine the keyword input ["Unity"] or input ["Anniversary"] when using the Mathematica version. I have read the MagneticKP manual, but I still don't quite understand it. Can you please explain it in detail ?And how can I quickly determine the input of materials that I care about.

and how to consider SOC ?

thank you.

@zhangzeyingvv
Copy link
Owner

The "Unitary" and "Anitunitary" are the representation matrices for unitary symmetry operator and anitunitary symmetry operator. for specific band structure, you can use SpaceGroupIrep package to determine the band representation and then use interfaceRep function to generate the input matrices

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

2 participants