/md2tau

This code extracts line width of phonons from specular energy density (SED) calculated with LAMMPS.

Primary LanguagePython

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 the SED

References

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