Dear LAMMPS users,
What is best potential for simulation Hexagonal Boron Nitride?
Best regards,
Runak
Dear LAMMPS users,
What is best potential for simulation Hexagonal Boron Nitride?
Best regards,
Runak
Best with respect to what??
Empirical potentials like they are used in LAMMPS are always parameterized for specific conditions and/or for specific compounds/geometries and so on. So whether a potential is well suited to represent some specific property well under one set of conditions, it may not perform as well for other conditions and some other potential may be a better choice. Empirical potentials are also always a compromise, so to represent one property very well, others will be represented not so well and these choices may also be different across different sets of potentials.
In short, the question is too generic to be able to give a meaningful anwer.
The best way to find out about potentials suitable for your needs is to survey the published literature and compare results and target conditions from different parameterizations and then make tests for yourself.