Calculation of the Müller-Plathe lattice TC on systems governed by the MEAM potential in LAMMPS: problems?

We are currently trying to calculate the lattice thermal conductivity of several metals (Ni, Cu, Pd, Ag, Pt and Au) using the non-equilibrium Müller-Plathe method in LAMMPS. We are considering big...

27 October 2022 1,011 2 View