I'm using the 'compute Voronoi/atom occupation' command to locate interstitial atoms and vacancies, and I've successfully applied it in a simple metal system, e.g. Fe, Cu, etc. However, I'm wondering if lammps can locate antisite defects (for example, in a Fe-Ni binary alloy, a Ni atom takes the place of a Fe atom). If it can help, what command should I use?
Thanks in advance.
School of Materials Science and Engineering
Beijing 100084, P.R.China