README
0939eb1ee963lammm-master-deprecated

README
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			This package contains a fix phonon command that calculates dynamical
			matrices, which can then be used to compute phonon dispersion
			relations, directly from molecular dynamics simulations.

			See the doc page for the fix phonon command for detailed usage
			instructions.

			Use of this package requires building LAMMPS with FFT suppport, as
			described in doc/Section_start.html.

			There are example scripts for using this package in
			examples/USER/phonon.

			There is an auxiliary post-processing tool in tools/phonon that will
			compute phonon frequencies and dispersion relations from the dynamical
			matrices output by this command.

			There is also an alternative code, dump2phonon, available which enables
			one to use the functions of fix-phonon by reading in atom-style dump
			files of lammps (which can be converted from the trajectories of any
			other MD code):
			https://github.com/lingtikong/dump2phonon

			The person who created this package is Ling-Ti Kong (konglt at
			sjtu.edu.cn) at Shanghai Jiao Tong University. Contact him directly
			if you have questions.