Potentials

How do I generate potential from scratch using quantum espresso or other codes? I need to make a Mg-Zn binary alloy system and simulate it on LAMMPS.

How do I generate potential from scratch using quantum espresso or other codes?

please study the literature. there are many different potential
functions around and each of them have a more-or-less different
approach to how to derive potential parameters. this is all explained
in those publications. some references, you can also find in the
documentation for the corresponding pair styles in LAMMPS.

I need to make a Mg-Zn binary alloy system and simulate it on LAMMPS.

have you searched the various data bases with available potentials?
also, searching the published literature can help. this doesn't seem
like very unusual combination. it is always better to use a previously
validated potential than making one yourself, unless you have a lot of
experience in deriving potentials (and your question indicates, that
you don't have much experience).

axel.

There is a potential for Mg-Zn system based on the second nearest-neighbor modified embedded-atom method. Please have a look this paper, I hope it helps

“Hyo-Sun Jang, Kyeong-Min Kim, Byeong-Joo Lee, Modified embedded-atom method interatomic potentials for pure Zn and Mg-Zn binary system, Calphad 60 (2018) 200–207”