dump2sed and sed2tau
This code extracts linewidth of phonons from a specular energy density (SED) calculated with LAMMPS.
dump2sed
- To calculate spectral energy density (SED) from a dump file of LAMMPS
sed2tau
- To extract linewidth or lifetime of phonons from SEDs
Prerequisite
- python>=3.0
- lmfit
References
- M. Ohnishi and J. Shiomi, Phys. Rev. B 104, 014306 (2021).
- T. Kodama, M. Ohnishi, et. al. Nat. Mater. 16, 892-897 (2017).