[lammps-users] Need some helps about LaMMPS


Dear Sir,
I am trying to model a simple problem considering the atom position in the crystal keeping equilibrium but after simulation, the atom has gone out of equilibrium. But please inform me the conditions which I have to apply for keeping the atoms in equilibrium position in crystal. I am waiting for your help.

Best regards
Dr. Sankar Kumar Deb Nath
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Dear Sir,
I am trying to model a simple problem considering the atom position in the crystal keeping equilibrium but after simulation, the atom has gone out of equilibrium. But please inform me the conditions which I have to apply for keeping the atoms in equilibrium position in crystal. I am waiting for your help.

nobody can tell what is wrong from this description only.
most likely causes are: your input coordinates are not correct,
your boundary conditions and box dimensions are not correct,
your potential parameters are not correct.

axel.