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

generate klist band file for arbitrary kpoints #32

Open
harrisonlabollita opened this issue Sep 5, 2023 · 0 comments
Open

generate klist band file for arbitrary kpoints #32

harrisonlabollita opened this issue Sep 5, 2023 · 0 comments
Assignees
@harrisonlabollita
Labels
enhancement New feature or request

Comments

@harrisonlabollita
Copy link
Owner

Currently, XCrySDen is the common choice to generate a kpath for a band structure plot in Wien2k. If a user would like to generate a path themselves, they would need to write a script themselves. w2kplot code support this by providing a command line tool that does this via a library function that is rather easy to implement.
@harrisonlabollita harrisonlabollita added the enhancement New feature or request label Sep 5, 2023
@harrisonlabollita harrisonlabollita self-assigned this Sep 5, 2023
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees

@harrisonlabollita harrisonlabollita

Labels
enhancement New feature or request
Projects
None yet
Milestone
No milestone
Development

No branches or pull requests
1 participant
@harrisonlabollita