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[lammps-users] potential problem
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[lammps-users] potential problem


From: Keshab Bashyal <kbashyal@...3211...>
Date: Sun, 5 Nov 2017 16:04:53 -0600

Dear lammps user, 

I have created a Cu-bicrystal file with a boundary at the centre. The grains above and below the boundary have different orientations. I wanted to calculate the grain boundary energy and so I created a lammps input file. I defined the potential as follows : 

pair_style eam/alloy
pair_coeff * * Cu_mishin1.eam.alloy Cu Cu

I am getting the following error 
ERROR: Incorrect args for pair coefficients (../pair_eam_alloy.cpp:52)

Can anyone please suggest how to define the pair coefficient for such system. 
Thank you.