[lammps-users] AIREBO problem for diamond like material simulation

system · January 12, 2009, 5:13pm

Hi steve,

I have retried the simulation using the 12 jan version of LAMMPS. Results are still the same. Appreciate if you have any ideas.

Thanks
Huck Beng

sjplimp · January 13, 2009, 2:24pm

I would run this NVE (no thermostatting) and see what happens.
If the Temp blows up then something is not right with your
initial geometry.

The attached script and data file for a small diamond lattice
problem run fine.

Steve

in.diamond (284 Bytes)