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ShengBTE

[シェン・ビー・ティー・イー]

  • Openness:3 ★★★
  • Document quality:2 ★★☆

A Boltzmann transport equation solver for calculating lattice thermal conductivity based on phonon information obtained from first-principles calculations. It takes into account three-phonon interactions and enables first-principles analysis of thermal transport properties in solids, including anisotropic crystals, complex structures, and those containing defects. Tutorials and input-support tools are also provided. A tool for calculating third-order force constants (thirdorder.py) is also available on the same website.

Information
Last Update:2025/11/26

Official site

https://www.shengbte.org/

License

GNU General Public License (GPL) version 3 or later

Availability

Requires compilation on Unix/Linux
Core Developers

Wu Li (Boston College/Institute of Physics, Chinese Academy of Sciences)
Jesús Carrete (University of Vienna)
Nicolas Mingo (CEA Grenoble)
N. A. Katcho (CEA Grenoble)
Target substance/model

Phonon thermal transport in solids (including crystalline / defect-containing systems)
Physical quantities that can be computed

Thermal conductivity
Methodology

Boltzmann equation with nonlinear phonon coefficients
Parallelization

Supports hybrid parallelization (MPI + OpenMP)
Related App
Document

W. Li, J. Carrete, N. A. Katcho, N. Mingo, Comput. Phys. Commun. 185, 1747–1758 (2014)
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