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.

Sign up for GitHub

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

Jump to bottom

HSE band #32

Open
windf22 opened this issue Dec 26, 2024 · 2 comments
Open

HSE band #32

windf22 opened this issue Dec 26, 2024 · 2 comments

Comments

@windf22
Copy link

windf22 commented Dec 26, 2024

Hello professor, how do I deal with the horizontal axis path of the HSE band structure when using pyband? Now there is always an extra section.
1735198677343
@QijingZheng
Copy link
Owner

Try pyband --hse or pyband --skip_kpts N1 --nseg N2, where N1 is the number of redundant kpoints and N2 is the number of kpoints in each k segment.

@windf22
Copy link
Author

windf22 commented Dec 30, 2024

Dear Professor Zheng,
Thank you for your invaluable advice and guidance, which truly resolved the problem. Thank you!
Best regards

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees
No one assigned
Labels
None yet
Projects
None yet
Milestone
No milestone
Development

No branches or pull requests
2 participants
@QijingZheng @windf22