Potential required

hello sir,

Can you tell me which potential is to be in the interaction of Zr-oxygen ions cascading effect for lammps simulation

Best regards:
Jitin doriya

B.tech IT-bhu

LAMMPS can’t tell you what potential is the best to use for a given simulation. For that, you need to use the scientific literature (in this particular case, for instance, the literature on pyrochlores) to find out what other people have used, and determine if such models are appropriate for your own simulations.