I m trying to learn how to calculate heat conductivity by lammps.
I found one helpful example in lammps. (in.langvine) which I have a question about it.
where is the calculated dQ ( in and out energy) in log.file or any where.
where dQ ( in and out energy) is defined in script.
I should be thankful if anyone help me with this.
You have to calculate dQ by using the energy supplied to the hot and cold thermostats (the hot and cold columns in the thermo output). This is described briefly in the README file, and also in papers on BDNEMD (boundary driven non-equilibrium MD) - including Thanks, Niall