[lammps-users] calculation of thermal conductivity at various temperatures

dear lammps users,

i am trying to compute the thermal conductivity of carbon nanotube which is being heated.I would like to know how can we compute the thermal conductivity at various temperatures using the muller plathe method implemented in lammps.

thanking you,
vishnu

If you read the doc page for that fix and read the MP paper it cites,
it should tell you everything you need to know. The new release
of LAMMPS also has a compute heat/flux which can be used
w/ the Green-Kubo formulas to do it as well - see the doc page.

Steve