sisl
https://github.com/zerothi/sisl
Python
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
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Help out
- Issues
- Nambu spin box
- Document categories.
- Associated data in a general way? After #665
- Generalize zigzag heteroribbons creations
- Simple bulk checker for transiesta
- Documentation: signatures with typehints.
- Documentation issues for SileBound
- Default `Lattice.nsc` and relation to periodic/nonperiodic directions
- WIP: Converting `sisl_toolbox` to typer.
- Replace argparse CLI with typer.
- Docs
- Python not yet supported