sic_trial_thermal.lammps (1.7 KB)
I have prepared a simple script where I wanted to calculate the thermal conductivity of SiC for a diamond crystal lattice structure but the result is providing unrealistic value of 1.29505787602968e+15 W/m.K
Would you suggest me some changes in the code which can I made to have a actual value which is obtained in the research? Or how should I learn to calculate thermal conductivity for a specific crystal structure?