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

Related tags

Miscellaneous md2tau
Overview

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).
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