sisl
https://github.com/zerothi/sisl
Python
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
Triage Issues!
When you volunteer to triage issues, you'll receive an email each day with a link to an open issue that needs help in this project. You'll also receive instructions on how to triage issues.
Triage Docs!
Receive a documented method or class from your favorite GitHub repos in your inbox every day. If you're really pro, receive undocumented methods or classes and supercharge your commit history.
Python not yet supported1 Subscribers
Add a CodeTriage badge to sisl
Help out
- Issues
- Comparison with Denchar and sisl
- Names not preserved in Geometry.rotate
- Commonly used tight-binding models
- Plotting bond/orbital-current maps sisl.viz
- Reuse orbital products in density calculation for multiple DMs
- Atoms without orbitals?
- Bond completion (or saturation)
- Berry flux over BZ
- 2D band structures.
- sanitize_orbs with categories
- Docs
- Python not yet supported