Python and Numba port of libtetrabz-style tetrahedron integration routines.
Project description
bztetra
bztetra is a Python + Numba package for tetrahedron integration on regular
k-grids.
This is the public 0.x preview series. Validate important production results
against the original
libtetrabz implementation or
the parity guidance in the
validation docs.
Install
pip install bztetra
Plot-backed examples use Matplotlib:
pip install "bztetra[plot]"
What It Provides
- Occupation, DOS, and integrated DOS weights on regular 3D k-grids.
- Static overlap, nesting, and polarization weights.
- Real- and complex-frequency Lindhard-style response functions.
- A separate
bztetra.twodnamespace for genuine 2D triangle-method problems.
Documentation
- Documentation: https://skilledwolf.github.io/bztetra/
- Quickstart: https://skilledwolf.github.io/bztetra/quickstart/
- Physics guide: https://skilledwolf.github.io/bztetra/physics/
- Examples: https://skilledwolf.github.io/bztetra/examples/
- Validation: https://skilledwolf.github.io/bztetra/validation/
- Repository: https://github.com/skilledwolf/bztetra
- Issues: https://github.com/skilledwolf/bztetra/issues
Project details
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