Dear LAMMPS Users,
I have a question about the compute vacf, in this calculation is the v(0) the velocity at the beginning of the simulation or the beginning of each time step?
I mean when I use the compute from time 0 ps to 20 ps with 0.01 ps time step, is the v(0) always equals to velocity in 0 ps or it is changing each time step.
I want to calculate phonon density of states using this compute. Is this compute a good way to calculate the phonon DOS?
Thank you for your help in advance.