Dear LAMMPS users,
I’m quite new in using LAMMPS and I’m wondering if someone can share his/her potential file for to simulate a bilayer hexagonal BN structure.
Thank you,
Éric.
Hi Eric:
Glad to see you here. You can use “BNC.tersoff” under the “potentials” directory of LAMMPS distribution. The commands for doing this are very simple and documented in “pair_style tersoff”. ReaxFF is also a choice.
Francis
Hey Francis,
got it.
thank you,
Éric.