lammps harmonic spectrum

Dear all,

I could not find a script to compute to the vibrational spectrum so I wrote one.
It can be used to compute the (0 Kelvin) phonon spectrum.
I found something to compute the spectrum from MD, but I did not find anything for the harmonic spectrum.

If this does not exist:
I hope someone could benefit from my script, it has some nice features such as removal of symmetry modes.
Please let me about bugs.
The script can be found here:


thanks - this looks useful

I'll see about posting this on the user scripts page
of the WWW site