BoltzTraP.jl: Julia implementation of BoltzTraP2
Abstract
BoltzTraP v0.3.0 Diff since v0.2.1 Breaking changes DFTData is now parametric: DFTData{N} where N is the number of spin channels New types: SpinType hierarchy (Unpolarized, Collinear, NonCollinear) New features Collinear magnetic (spin-polarized) material support Magmom extraction for VASP, QE, ABINIT, Wien2k, GENE, DFTK Spin-aware symmetry and transport integration Fe collinear validation against Python BoltzTraP2 Examples: Si, PbTe, Li, Bi2Te3 (SOC), CoSb3 Compatibility v0.1/v0.2 JLD2/BT2 files are fully backward compatible Closed issues: Register v0.2.1 (#16) Add collinear magnetic material support (#17)
Fields of Study & Subjects
Advanced Thermoelectric Materials and Devices
Thermal properties of materials
Thermodynamic and Structural Properties of Metals and Alloys
Publication details
- Journal / source
- Zenodo (CERN European Organization for Nuclear Research)
- Publication date
- 15 January 2026