
doi: 10.5281/zenodo.20469759 , 10.5281/zenodo.18335645 , 10.5281/zenodo.18606114 , 10.5281/zenodo.19832309 , 10.5281/zenodo.18328895 , 10.5281/zenodo.19880012 , 10.5281/zenodo.18253185 , 10.5281/zenodo.18253186 , 10.5281/zenodo.21298549 , 10.5281/zenodo.18605978 , 10.5281/zenodo.19996150 , 10.5281/zenodo.20255943
doi: 10.5281/zenodo.20469759 , 10.5281/zenodo.18335645 , 10.5281/zenodo.18606114 , 10.5281/zenodo.19832309 , 10.5281/zenodo.18328895 , 10.5281/zenodo.19880012 , 10.5281/zenodo.18253185 , 10.5281/zenodo.18253186 , 10.5281/zenodo.21298549 , 10.5281/zenodo.18605978 , 10.5281/zenodo.19996150 , 10.5281/zenodo.20255943
BoltzTraP v0.4.0 Diff since v0.3.4 Breaking changes: None. The 0.3 → 0.4 bump only starts a new compatibility series; no public API is removed or changed. Added: Wannier interpolation transport path: solve_transport accepts a WannierInterpolator, sharing the Fourier path's transport engine. Si Wannier reference test in CI. Documented CoSb₃ baselines for both interpolation paths. Cross-platform-reproducible Wannier transport tensors: band velocities at degenerate k-points are built gauge-invariantly (averaged over approach directions) instead of depending on the LAPACK eigenbasis within a degenerate multiplet; models with no threshold-degenerate bands on the mesh are unchanged. Closed issues: Add Wannier interpolator support (#53) Allow WannierInterpolator construction from a pre-built Wannier.InterpModel (#63) Add documentation page for the Wannier interpolation path (#64) Expand Citation list to cover the v0.4 Wannier path (#65) Register v0.3.4 (#70) Disambiguate "Integration" in docs page titles (Wannier.jl / DFTK.jl vs BZ) (#74) Sidebar: some extension pages nested in Guide (#75) Fourier transport path has no documented CoSb₃ reference values (#79)
If you use this software, please cite BoltzTraP.jl together with the references listed below.
band structure, transport coefficients, Julia, Boltzmann transport, interpolation
band structure, transport coefficients, Julia, Boltzmann transport, interpolation
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