[lammps-users] Thermal conductivity computation using compute heat/flux ?


I have some problem with computing the thermal conductivity. In the example script , Is the sample interval :200 ? Does it work for copper?

You didn’t post an input script. But you should look at
the fix thermal/cond doc page - it outlines how to do
the calculation. Also you should read the original
Muller-Plathe paper it cites.