The method of mixing the two BOP potential functions is called for help

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1

Currently, I’m trying to mix the potential functions of GaAs and BOP，such as
pair_style bop save

pair_coeff * * /pentials/GaAs.bop.table Ga As NULL NULL NULL NULL NULL

pair_coeff * * /pentials/CdZnTe_v2.bop.table NULL NULL Cd Te Te Te Cd

comm_modify cutoff 15.7
An error message appeared
All pair coeffs are not set (src/pair.cpp:252)
I know that the potential function between CdTe and GaAs is not set, but since the BOP potential function cannot be used for hybrid, it limits me, so I am asked how to solve it

2

There is no solution beyond creating a new parameterization that contains all elements in a single file. Even using pair style hybrid would not help, since it does not provide the cross-terms.

You have to use a different pair style or find a collaborator that knows how to parameterize BOP potentials.

3

Thank you very much for your answer.