The first thing to figure out is whether any of the LAMMPS
potentials can be used for GaN, e.g. Tersoff. If so, then
you can do MD of GaN. Whether that means you can model
doping, depends on what you mean by that, and whether
the MD timescale is appropriate.
Steve
2009/4/2 弓晓晶 <[email protected]...>: