search

zerothi / sisl

Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
https://zerothi.github.io/sisl
Mozilla Public License 2.0
182 stars 58 forks source link

Write BandStructure paths to fdf or other input files #141

Closed zerothi closed 1 year ago

zerothi commented 5 years ago

Describe the feature Title, says it all

zerothi commented 1 year ago

This is now adopted in fdfSileSiesta, I am not too sure how exactly to handle this.

I think generally I want an *_brillounzone writer/reader since it may be agnostic about its actual class. Then the methods should decide based on the input. This is how it is currently enabled.

zerothi commented 1 year ago

Closed in https://github.com/zerothi/sisl/commit/6766834896526689becd5f6a87d167dba6ddd150