Dear Lammps users,
I have been trying to find out the thermal conductivity of (11,11)Carbon Nanotube using Equilibrium Green Kubo Relations.
But unfortunately, I have repeatedly been getting values of thermal conductivity which are way off the experimental results.
The values of thermal conductivity that I am getting are around 1.2.W/mk after conversion from Metal to SI units but it should be around 1700 W/mK
System has 528 atoms
Potential : Tersoff Potential
Please help me identify the error that I might be making.
Please find below the lammps input script.
This is the input script for calculating the thermal conductivity of Carbon Nanotube using EGK