hi in the script attached i try to simulated a GAAS deposit.
the script run good, but if i increment the number of atoms from 25 to 40 and from 12 to 20, lammps lose atoms in the simulation. the simulation box is periodic in x,y and have a wall/reflect in zhi, ¿the lose atoms could pass the wall/reflect in zhi? or the problem could be the zlow.
thank you for all.
data.gaas (45 KB)
GaAs.sw (882 Bytes)
in.zinc (774 Bytes)