[lammps-users] Dislocation minimization at zero degree kelvin

Thank you for your reply.
I am using the EAM potenital Al_jnp.eam that came along with LAMMPS distriubution. I haven't checked with any other potential.

The dislocation I have considered is a perfect one (2 extra half planes) in the cetnre of box. I also tried by increasing the simulation size. Both are giving same results, i.e., high splitting distance with this energy tolerance of 1.e-7.

Can you suggest potential (for Al) which can be used for these types of analysis? Can I get any LAMMPS i/p file from the users who did such analysis?

Thanks and regards

There is no guarantee that an arbitrary EAM potential file will
produce the correct material properties for something like this.
It may have been fit to different properties.