Please find attached my LAMMPS input script and Log file. I am creating a simple Si lattice with 384 atoms with dimensions 4, 4, 3 in the x, y and z directions. I raised this question before and have been suggested to increase the distance between the atoms to prevent them from overlapping. So, I changed the neighbor command values accordingly but to no avail.
Is this a problem with the time step I am using, the damping temperature or the neighbor skin value. Could anybody please help me in this regard.
logISSUE.lammps (1.73 KB)
NEWTADSI.txt (1.99 KB)