The problem about the hybrid BOP function


I have tried to apply BOP function of GaAs in an indentation test simulation, but it cannot hybrid the BOP with other potential functions (for C and GaAs). The error message showed: “Pair style BOP is not compatible with hybrid pair styles”.

I just wandering that is anyone can give me some suggestions about the solution to this problem?

Many thanks for the help.

The error message is clear. So you either have to avoid using pair_style hybrid or need to use a different sub-style that is not bop.

Hi Alex,

Thanks for your reply. Is there any possible way to avoid using “pair_style hybrid” but I can still apply bop with other potential functions (like the hybrid function)?

Thank you

What features are available in LAMMPS is documented in the LAMMPS manual.

Many thanks for the information, I will check the manual again. Thank you.