			This directory illustrates the usage of fix-phonon to calculate the dynamical
			matrix as well as phonon dispersion curve for Graphene based on a Tersoff potentail.

			The files under this directory:

			1) Graphene.bin.6000000 : last output binary file by fix-phonon
			2) Graphene.log : log file for fix-phonon
			3) SiC.tersoff : Tersoff potential file for SiC
			4) data.pos : LAMMPS input file
			5) pdisp.dat : phonon dispersion data from Graphene.bin.6000000
			6) in.disp : input file to get disp.dat by phana
			7) in.graphene : LAMMPS input file
			8) log.lammps : LAMMPS log file
			9) map.in : LAMMPS input file for fix-phonon
			10) pdisp.eps : figure of phonon dispersion curves
			11) plot.disp : gnuplot script to generate pdisp.eps
			12) pdisp.gnuplot : gnuplot script to generate pdisp.eps (auto generated)
			13) README : this file

			To run this example, simply invoke:
			-> lmp -in in.graphene -screen none

			Once done, one can use the auxiliary analysing code "phana" to obtain "pdisp.dat"
			-> phana Graphene.bin.6000000 < in.disp

			And then use the gnuplot script file "plot.disp" to generate pdisp.eps:
			-> gnuplot plot.pdisp

			The resultant ``pdisp.eps'' shows the measured phonon dispersion.

			NOTE: the binary file provided here might be unreadable on some computers because of
			incompatibility between different architectures.

			Author: Ling-Ti Kong, konglt@sjtu.edu.cn
			Nov 2015

lammps/examples/USER/phonon/4-Graphene/README
1aeecfb0cfcflammm-master-deprecated

README
View Options