simulation of ionic crystal using LAMMPS

Dear All:
I want to simulate the properties of ionic crystal, so Coulombic force should be considered besides short-range repulsive force. Basically, I know that “pair_style coul/long” and “pair_style hybrid/overlay” commands could be used. However, it is still a little difficult for me. Does anyone have a simple example of input script for simulating ionic crystal? If you would like to share the simple input script with me, I appreciate you very much!

Best regards,
Jun Zhang

Many pair styles, besides coul/long, include Coulombic
forces. Simulating an ionic crystal is no different really
than any other LAMMPS simulation. Define your atoms
with charges, and run with a Coulombic potential.


Dear Steve:
Thank you so much for your explanation and help. Last time the input script for deposition you provided is very helpful for me. I have successfully simulated the deposition process of film. For ionic crystal, would you like to provide me a similar simple example of input script? If so, I could quickly understand the details of how to apply it.
Anyway, I appreciate you very much.
Jun Zhang

As I said previously, add charges and a short-range
(and long-range if you like) Coulomb potential. That is
independent of fix deposit.