Losing Atoms.

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1

Hi,

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.

-Saketh.

logISSUE.lammps (1.73 KB)

NEWTADSI.txt (1.99 KB)

2

Dear Saketh,

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

All the best,
Vasily Pisarev