i’m a new user of LAMMPS and to test whether i’m running LAMMPS appropriately, i’m melting a 380-atoms Ni nanoparticle
with an EAM potential. Unfortunately, during an Nose/Hoover NVT run, T oscillates considerable. This is not desirable, as
i’m looking for the melting point, which requires increasing T in small increments, i.e. 25K, nearby the melting point.
I’m using the following commands:
fix 1 all nvt 300 300 0.5 drag 2.0
Still T oscillates very much.
Is there any way to avoid the large oscillations.