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Re: [lammps-users] potential problem
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Re: [lammps-users] potential problem

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Sun, 5 Nov 2017 17:09:47 -0500

On Sun, Nov 5, 2017 at 5:04 PM, Keshab Bashyal <kbashyal@...4156...1...> wrote:
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. 

​there is not enough information provided. especially:
what is your LAMMPS version?​
how many atom types are you defining in your data file or create_box command?


Thank you. 

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Dr. Axel Kohlmeyer  akohlmey@...12...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.