the Question of setup 310 and 211 surface with lattice command

Dear all,

I have a question about how to use lattice command to setup <310> and <211> surface.

I check the information in

https://icme.hpc.msstate.edu/mediawiki/index.php/LAMMPS_Help3

it use “lattice fcc 4.05 orient x 0 3 1 orient y 0 -1 3 orient z 1 0 0”

Can someone help me to check whether this command can be used to setup <310> surface?

Meanwhile, I still do not know the setup <211> surface.

Can you give me some suggestion how to do this?

Thanks so much for your great help!

Best wishes!

Lu

Please read the doc page for the lattice command. Then try it

out for a small system, visualize the results, and write the atom

coords to a file to see if they are what you expect. If you know

what the coords for a 310 surf should be, you can easily verify

that LAMMPS is producing what you expect.

Steve

Please read the doc page for the lattice command. Then try it
out for a small system, visualize the results, and write the atom
coords to a file to see if they are what you expect. If you know
what the coords for a 310 surf should be, you can easily verify
that LAMMPS is producing what you expect.

...and don't forget to check, if the simulation cell is a commensurate
multiple of the rotated unit cell, so that you get a proper
continuation across periodic boundaries. most problems that are
reported for non-trivial orientations, are due to this kind of
oversight.

axel.

The surface of <211> and <310> is non-trivial, I will check this first from coordinate.
Thanks so much!

Best wishes!
Lu

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