Error with pair_coeff * * AlO.eam.alloy

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1

Dear sirs,

I always get the same error and I can’t find the reason why. I’ve spent a lot of time and I can’t find a solution.

My code is as follows:

pair_style eam/alloy
pair_coeff * * …/potentials/AlO.eam.alloy Al O

and it says:

ERROR: Incorrect args for pair coefficients (…/pair_eam_alloy.cpp:52)
Last command: pair_coeff * * …/potentials/AlO.eam.alloy Al O

I’ve tried multiple combinations, placing the potential file in the same directory as the input file but I don’t manage to solve the problem.

Thank you in advance.
Best regards,

Victor

2

if this was a problem finding or reading the potential file, the error message would say so.
this is more likely due to an incorrect number of arguments due to a mismatch in the number of atom types and how you map the elements from the potential file to them.

axel.