[lammps-users] Using Velocity auto correlation function

Dear LAMMPS users,

I am trying to estimate vibrational properties using velocity auto correlation function (VACF). Can anyone send the script used to find the vibrational properties using VACF.

Mukesh Pandey,
BARC, Mumbai

you can compute velocity auto-correlations with compute vact, but LAMMPS does not have any built-in feature to post-process that VACF into a spectral density plot.