I want to setup Nacl structure in boundary conditions “s s s”. But based on the law of lammps, the number of ionic Na is different from that of ionic Cl . So the charge of the whole model is nonequilibrium. I think the model in this case is not suitable. Can anybody give me some suggestion? Thanks!
could you please describe “the law of lammps”; please. why the number of ionic Na is different than from that of ionic Cl. what number are you refering to?