Dear All,
Does anybody know whether LAMMPS has build-in potentials for 2D black
phosphorous materials containing P and other compounds such as N, Ni, or Fe.
Many Thanks,
Majid
Dear All,
Does anybody know whether LAMMPS has build-in potentials for 2D black
phosphorous materials containing P and other compounds such as N, Ni, or Fe.
​LAMMPS only provides the potential functions​ and some selected potential
parameter files for running the bundled examples.
For potential parameters in general you need to look for in the published
literature or in potential parameter data bases.
axel.