I wanted to bring to your attention a few additional implementations that I've recently worked on. Whenever it suits your schedule, I would greatly appreciate it if you could take a moment to review them.
Here's a summary of the major modifications made in this PR:
Introduced a new function aimed at optimizing the selection of k-points in a k-path to maximize or minimize the number of folded SC Kpoints. -> Motivation: maximizing folding helps to reduce computational cost
Enhanced the functionality for plotting band structures.
Implemented features to locate band centers and estimate band broadening (original source).
We're also actively working on integrating additional functionalities.
Dear @stepan-tsirkin,
Thank you again.
I wanted to bring to your attention a few additional implementations that I've recently worked on. Whenever it suits your schedule, I would greatly appreciate it if you could take a moment to review them.
Here's a summary of the major modifications made in this PR:
We're also actively working on integrating additional functionalities.
Best regards, Badal