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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- Issues
- Support for SIESTA-BdG in sisl
- Remove `dtype` in the Spin object
- Sparse.transform with nc or soc will likely behave unexpected.
- Cython perf simplification
- enabled ellipsis here and there
- Densities and grids are not converting correct units
- Inconsistency fatbandsplot polarized and spin-orbit case
- Update sphinx requirement from <8 to <9
- Handling different `order` arguments for sub-calls in fdf reads
- Allow `Ellipsis` where it makes sense
- Docs
- Python not yet supported