			# 3D simple cubic lattice simulation
			dimension 2
			boundary p f p

			units lj
			atom_style bond
			atom_modify sort 0 1.
			bond_style harmonic
			pair_style none
			comm_modify mode single cutoff 2.0

			# geometry
			read_data data.pos

			#
			neighbor 1.0 nsq
			neigh_modify delay 0 check no

			#Langevin random seed
			variable r equal 571101

			#Langevin Temperature
			variable t equal 0.005

			# Langevin Damping variable
			variable d equal 0.5

			# Create velocities and equilibrate
			compute MyTemp all temp/partial 1 0 0
			velocity all create $t 28711 mom yes rot yes dist gaussian temp MyTemp
			velocity all set NULL 0.0 0.0 units box
			#
			fix 1 all langevin $t $t $d $r
			fix_modify 1 temp MyTemp
			fix 2 all setforce NULL 0. 0.
			fix 3 all nve
			fix 4 all phonon 10 50000 500000 map.in phonon sysdim 1
			fix_modify 4 temp MyTemp

			# 1 2 3 4
			thermo_style custom step temp pe etotal
			thermo_modify temp MyTemp
			thermo 100

			#
			run 2000000

lammps/examples/USER/phonon/2-1D-diatomic/in.Ana
775e8f3cc8f5lammm-master

in.Ana
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