orientation

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

Hamadi

[email protected]…458…net

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.

Steve