This package contains a method to measure the dynamical matrices, and consequently the phonon dispersion, directly from molecular dynamics simulations. It is implemented as a fix phonon command.

See the doc page for the fix phonon command for detailed usage instructions.

The compiling of this package along with LAMMPS requires that the FFT3d wrappers from the kspace package of LAMMPS be included as well.

There are example scripts for using this package in examples/USER/phonon.

There is an auxiliary post-processing tool for using this package in tools/phonon.

The person who created this package is Ling-Ti Kong (konglt at sjtu.edu.cn). Contact him directly if you have questions.