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FourPhonon

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A software package for calculating lattice thermal conductivity based on phonon information obtained from first-principles calculations, including four-phonon scattering processes. It extends ShengBTE to account for four-phonon interactions that become dominant at high temperatures. The program enables quantitative analysis of the competition between three- and four-phonon interactions as well as temperature dependence, allowing for more accurate evaluation of thermal transport properties.

Information
Last Update:2025/11/26

Official site

https://github.com/FourPhonon

License

GPL-3.0（GNU General Public License version 3）

Availability

Requires compilation on Unix/Linux
Core Developers

Tianli Feng (Purdue University / University of Utah)
Zhiting Han (Purdue University)
Xiulin Ruan (Purdue University)
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) up to three-phonon processes
Related App
Document

Zherui Han, Xiaolong Yang, Wu Li, Tianli Feng, Comput. Phys. Commun. 270, 108179 (2022).
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