[lammps-users] thermal conductivity calculations

dear lammps users,

if i wanted to calculate the thermal conductivity of a system which is given a temperature of 500 k on one end while the other end is maintained at 300k.is it possible using the fix thermal conductivity command???thanks in advance

thanking you


The fix thermal/cond command doesn't allow you to set
temperatures, rather it just swaps KE. If you tune the
swap params, you can boost/reduce the induced temperature
difference. You can also set two thermostats yourself
on the 2 regions and use compute heat/flux to monitor
the flux.