Dear Lammps users

I’m trying to get the orientation structure (11-20, 10-10, 0001) for alpha titanium structure

lattice custom 2.93093 a1 0.5 -0.866025 0 a2 0.5 0.866025 0 a3 0 0 1.596 basis 0.333333 0.666666 0.25 basis 0.666666 0.333333 0.75

I tried different code but i haven’t succeeded to get it, even the text book it’s not very clear.

Can you please help to figure out how to build this orientations structures with lammps command.

Best regards


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I suggest you use that lattice command to create a system with

one unit cell (2 atoms in your case), and dump them to a dump file.

Check the coords. I think they will be exactly what the lattice

command specified with those basis vectors. Whether that

is your alpha Ti structure or not, is up to you to figure out.