Coulomb styles of pair hybrid sub-styles do not match

LAMMPS LAMMPS Beginners
1

I am using the August 2, 2023 version of LAMMPS.
I would like to use born/coul/long and coul/cut together for interatomic potentials.
However, I get an error message “ERROR: Coulomb styles of pair hybrid sub-styles do not match”.
What should I fix?

—The code ----…
pair_style hybrid born/coul/long 10 coul/cut 10
kspace_style ewald 1e-6
pair_coeff 3 3 born/coul/long 870570 0.265 0 8210.17 0
pair_coeff 1 3 born/coul/long 11607587.5 0.17 0 0 0
pair_coeff 2 3 born/coul/long 4853815.5 0.161 0 4467.07 0
pair_coeff 1 1 coul/cut
pair_coeff 1 2 coul/cut
pair_coeff 2 2 coul/cut

2

You must not mix cutoff coulomb with long-range coulomb. This leads to double counting. It is either all long-range or all cutoff.

1 Like
3

Thanks to your advice it worked out.
Thank you.