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BoltzTraP.jl: Julia implementation of BoltzTraP2

Authors: Sugawara, Hiroharu;

BoltzTraP.jl: Julia implementation of BoltzTraP2

Abstract

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.

Keywords

band structure, transport coefficients, Julia, Boltzmann transport, interpolation

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average