I am a new LAMMPS user and am working through some of the examples.
It would be very helpful if someone could send me a simple input script file illustrating the use of the fix thermal/conductivity command to compute the thermal conductivity in a material (any material and any potential).
Thanks,
Sreekant
I don't have an example,but aside from the fix itself the
only command you need (to monitor the KE flow) are
those listed on the fix thermal/cond doc page, with
fix ave/spatial. You could add all that to bench/in.lj
and it should work.
Steve
You want
variable temp atom c_ke[]/1.5
not
variable temp atom c_ke/1.5
Read the variable doc page. You also have fix nve commented out.
Your atoms will not move.
Steve