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[lammps-users] post processing for calculating the vibrational density of state
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[lammps-users] post processing for calculating the vibrational density of state


From: liyi bai <liyibai2011@...24...>
Date: Sat, 21 Oct 2017 14:42:28 +0900

Hello,users


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.


Thank you


All best


Liyi Bai