This code calculates a spectral energy density (SED) of carbon nanotubes (CNTs) from a dump file of LAMMPS. Because the code is written by C++, large systems can be analyzed.
This code extracts linewidth of phonons from an SED. The extraction is not fully automated.
- python>=3.0
- lmfit
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).