what unit conversion is required to get thermal conductivity in W/mK. and what is the unit Molecular Dynamics code will give for thermal conductivity. If any one of user can tell me, I’ll be very much thankful to them.

warm regards

Vijay Kumar Sutrakar

See the doc page on the fix thermal/conductivity command

and the Muller-Plathe paper it cites:

"As described below, the total kinetic energy transferred by these

swaps is computed by the fix and can be output. Dividing this

quantity by time and the cross-sectional area of the simulation box

yields a heat flux. The ratio of heat flux to the slope of the

temperature profile is the thermal conductivity of the fluid,

in appopriate units. See the "Muller-Plathe paper"_#Muller-Plathe for

details."

Steve