|From:||liyi bai <liyibai2011@...24...>|
|Date:||Sat, 21 Oct 2017 14:42:28 +0900|
I searched the previous lammps users usually produce velocity vector and do post-processing with those velocity vectors using Matlab for calculation of phonon density of state.
I would like to calculate the vibrational density of state.I have dumped the velocity(vx,vy,vz)? Could you give me some information how to do the post-processing in details( I know Matlab)?
How can I calculate the VDOS in particular region of my simulation box?
I am grateful if you could reply me.