Hi
I want to calculate Thermal Conductivity of Al and I have used the input script with some changes which is given in LAMMPS example for Ar. But the result is always less than one. I don’t understand what is the reason.
Thanks in advance
Concise emails are good as long as you provide people with enough information. I bet “THE” reason is you and only you. If you are new to the field browse the archives, there are tons of discussions about this topic. Computing transport properties is not always straightforward thus you need to be observant and careful on how to prepare your files, run your simulations and report your data.
Carlos