When I run a simple NVT simulation using silicon and the Stillinger Weber potential, the energy of my system continues to fluctuate greatly over long runs. The measured temperature, when set at 300K, fluctuates from 150K to 500K. I’m using lammps-26Jun08. Hopefully this is a trivial problem with my input file, but I cannot seem to find the cause of this issue. See attached.
in.SW-Si (669 Bytes)
SW-Si.out (367 KB)