Losing Atoms.


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)

Dear Saketh,

You should apply either periodic or shrink-wrapped boundary conditions
in Z dimension.

All the best,
Vasily Pisarev