LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
Re: [lammps-users] potential problem
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

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?

axel.

 
Thank you. 

------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
lammps-users mailing list
lammps-users@...6297....sourceforge.net
https://lists.sourceforge.net/lists/listinfo/lammps-users




--
Dr. Axel Kohlmeyer  akohlmey@...12...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.