[lammps-users] Measuring the Stacking Fault Energy

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1

It seems like healed at the interface. Just now I realized, that the number of atoms changes with different dx. This change correlates with the discontinuities in the energy-curve. How can I create a shifted crystal with lateral periodic boundary with a constant number of particles? Do I have to use an own external code to do this?

/Gerolf

2007/12/5, Steve Plimpton <sjplimp@…24…>:

2

If you use the create_atoms command with a region
of appropriate size, you should be able to get precisely
the atoms you want.

Steve