I want to include a precipitation, a gas bubble, inside of a monocrystalline metal. Also, I want to increase the pressure of the gas bubble by varying the density of that particular group, i.e, "gas-bubble".
To accomplish these, I'm trying to create crystal structure then deleting a spherical region and introducing gas atoms in that region. I'm doing NVE for equilibration.
But, to achieve a high pressure in the gas bubble when I'm increasing the mass density of that bubble region, I get "neighbor list overflow" error, which is quite certain. On the contrary, if I use "neighbor_modify exclude type 2" then the interactions between gas atoms with switching off. Right? Hence, could anybody please help me out in this regard?
Any comments/idea/suggestion is greatly appreciated.