H2 box and metal oxide simulation

Dear LAMMPS users

I am simulating a metallic oxide nanoparticle in a hydrogen box, for this I am using two potentials, according to the literature they work very well for the two separate materials, however when joining a single system I find certain drawbacks because there is not much evidence how to use in a hybrid way specifically these two potentials.
It is important to indicate that the hydrogen atoms were placed with zero charge.

The script is as follows
metal units
boundary p p p
atom_style charge
read_data data.system

pair_style hybrid airebo 3.0 1 0 buck/coul/long 10.0
pair_modify mix arithmetic
pair_coeff * * airebo …/CH.airebo H
pair_coeff 2 2 buck/coul/long 31120.528 0.154 5.25
pair_coeff 1 2 buck/coul/long 16957.710 0.194 12.59
pair_coeff 1 1 buck/coul/long 11782.884 0.234 30.22

kspace_style pppm 1e-6

neighbor 2.0 bin
neigh_modify delay 0 every 1 check yes one 11330 page 200000
timestep 0.001

thermos 10
thermo_style custom step temp press pe ke etotal ecoul epair lx ly lz vol
thermo_modify flush yes

minimize 1.0e-4 1.0e-8 1000 10000

fix 1 all npt temp 300 300 100 iso 1.01325 1.01325 100.0
run 4500
fix 1
fix 2 all nvt temp 300 300 100
run 4500
fix 2
fix 3 all nve
run 1000

ERROR: Incorrect args for pair coefficients (…/pair_airebo.cpp:180)
Last command: pair_coeff * * airebo …/CH.airebo H



There are special rules for the arguments of manybody potentials, which allow only one pair_coeff commands (like airebo) and then additional tweaks to that, when they are used within a hybrid pair style. This is all explained in the documentation for the respective pair styles.