dump2sed

This code calculates spectral energy density (SED) of carbon nanotubes (CNTs) with a dump file of LAMMPS. Because the code is written by C++, large systems can be analyzed.

sed2tau

This code extracts linewidth of phonons from a SED. The extraction is not fully automated.

Prerequisite for sed2tau

• python>=3.0
• lmfit

How to Cite

If you use these codes, please cite them with:

• M. Ohnishi and J. Shiomi, Phys. Rev. B 104, 014306 (2021).
• T. Kodama, M. Ohnishi, et. al. Nat. Mater. 16, 892-897 (2017).