[lammps-users] ReaxFF Simulation Si: Energy Conservation Problem

Hi Aidan,

I just wanted to correct a couple of mis-types in my last email.

As it appears in my log.lammps file, I'm using a Tersoff potential for Si (not Stillinger & Weber) with a time step of 1fs (not 0.025fs). Everything else is the same.

Thanks again!

Nicholas J. Lee

log.lammps.zip (82.3 KB)