Hello Nick Roberts,
I believe that you will need to implement the phonon wave-packet method in LAMMPS. It is not really difficult if you have already solved the dynamical matrix or at least you have the frequencies of your wave-packet.
Javier
Hello Nick Roberts,
I believe that you will need to implement the phonon wave-packet method in LAMMPS. It is not really difficult if you have already solved the dynamical matrix or at least you have the frequencies of your wave-packet.
Javier