Thermal Conductivity results by Lammps show no match with referance values.

Hi, Guys,

I tried EMD and NEMD methods for Thermal Conductivity of solid Argon based on different temperatures. But the NEMD results show contrary trend with ref values. And EMD results in low temp region are much smaller than ref values. I double checked and checked and checked, but i still couldnt find the reason. I put the several plots and input files together as a short report. It is in the attchment(forgive for the little bigger size). Hope someone can give me some good suggestions. I really appreciate that. Have a good day!

Best Regards,


TCRepot.pdf (103 KB)