pySED

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To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.

Main features

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• Output a very nice SED image
• Using Lorentz to fitting the SED peak
• Fit all peaks at once and output phonon lifetimes, or can fit them individually
• Simple and easy to use
• Phonon lifetime can only be obtained qualitatively
• Can be used in parallel and get SED results quickly

Installation instructions

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1. From source code (Highly recommended)

# python setup.py install --user --prefix=

For convenience, you may want to copy (or link) the files inside scripts folder to a location included in $PATH environment variable

2. From pip install (Not currently recommended)

# pip install pySED-phonon

Usage

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The example file have so many case provided to show how to use pySED. If one can reproduce the case in the example, one should use the program.

Online manual https://pysed.readthedocs.io

References

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• J. M. Larkin, Ph.D. thesis, Carnegie Mellon University, 2013
• Larkin, et al., Phys. Rev. B 81, 081411(R) (2010)
• J. E. Turney, E. S. Landry, A. J. H. McGaughey, and C. H. Amon, Phys. Rev. B 79, 064301 (2009).
• A. J. H. McGaughey and M. Kaviany, Phys. Rev. B 69, 094303 (2004).
• https://github.com/tyst3273/phonon-sed

If you use pySED, the following citations are highly recommended:

• Li, J., Ying, P., Liang, T., Du, Y., Zhou, J., & Zhang, J. (2023)
• Penghua Ying, Ting Liang, Ke Xu, Jin Zhang, Jianbin Xu, Zheng Zhong, and Zheyong Fan (2023)

Contact info

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Ting Liang liangting.zj@gmail.com; Wenwu Jiang wwjiang96@163.com