Incorrect args for pair coefficients (../pair_eam.cpp:350)

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1

Hi All,

I am getting the error "Incorrect args for pair coefficients (../pair_eam.cpp:350)". I have an argon atom which is interacting with Ni surface. For the Ni surface I am using eam potential and for Ni-Ar interaction I am using LJ 6-12. Below one is my input file. 1 represent Ni and 2 represents Ar. I would appreciate if someone will help me with this issue.
Regards,
Rose

---------------------INITIALIZE--------------------------------#

units metal

dimension 3

boundary p p p

atom_style atomic

#--------------------ATOM DEFINITION----------------------------#

read_data data.NiAr

mass 1 58.6934
mass 2 39.948

#------------------FORCE FIELD-------------------------------------#

pair_style hybrid eam lj/cut 2.5

pair_coeff * * eam Ni_u3.eam Ni NULL

pair_coeff 1 2 lj/cut 0.08257 2.822

2

Hi All,

I am getting the error "Incorrect args for pair coefficients (../pair_eam.cpp:350)". I have an argon atom which is interacting with Ni surface. For the Ni surface I am using eam potential and for Ni-Ar interaction I am using LJ 6-12. Below one is my input file. 1 represent Ni and 2 represents Ar. I would appreciate if someone will help me with this issue.

please look at the error message carefully. it indicates that the
problem is with the eam parameter specification and indeed you are
using the syntax for multi-element EAM parameter files, i.e.
eam/alloy, but are using a single element eam style, which does not
require an element mapping.

3

Thank you Axel. It solved the problem.
Rose