[lammps-users] hi All

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1

Hi,

How to generate Pt(111), Pt(110), and Pt(100) using LAMMPS?

I am trying to perform molecular dynamics simulations of surface catalysis using LAMMPS. I am able to generate a surface by using "lattice orient ". Is there any way to verify my surface plane? I just want to be sure that I am simulating the right orientation.
with which lammps command can i do it? Can you give me an example for (110) and (111) orientation in single-crystal metals?

Thanks in advance.

2

There’s no substitute for visualizing the surface LAMMPS generates
and/or studying the dump file and atom coords to see if they are what you expect.
You don’t have to create a large system to do that.

Steve