FourPhonon: An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity

A phonon transport solver

About

FourPhonon is a Boltzmann Transport Equation and phonon scattering solver, which incorporates four-phonon scattering formalism pioneered by Ruan group (Dr. Tianli Feng and Dr. Xiulin Ruan). It was built on ShengBTE, a popular solver in the community, with the aid from Dr. Xiaolong Yang and Dr. Wu Li. You can access this computational tool on GitHub repository:

https://github.com/FourPhonon/FourPhonon

https://github.com/FourPhonon/Fourthorder

The first one is the main solver while the second one is a script for computing 4th-order force constants. Read the documentation here:

GitHub - FourPhonon/FourPhonon: Our paper has been accepted at Comput Phys Commun and is available online: https://doi.org/10.1016/j.cpc.2021.108179. We highly recommend you put your related questions in 'Discussions' section.

Online manual: Manual

A discussion forum is also created for users to communicate with us:

Discussions · FourPhonon/FourPhonon

If you want to contribute to our program, please consider submitting pull request here:

Pull requests · FourPhonon/FourPhonon

Please cite our paper [Comput Phys Commun 270 (2022) 108179] and the original ShengBTE paper when using this tool.

Impact

Since its release in early 2021, this tool has been employed in more than 200 journal publications ******worldwide. These publications concern the studies in:

• Thermal transport in perovskites, emerging two-dimensional materials, ferroelectrics
• High thermal conductivity materials and strongly anharmonic systems
• Raman and infrared spectra, thermal radiation