FW: [EXTERNAL] orthogonal vectors in hcp lattice


  Here is a simple question about Lammps. I
am trying to create a hcp lattice and rotate it in Lammps. I use the
command lattice hcp 2.93093 orient x 1 0 1 orient y 0 1 0 orient z -8


3. It says the orient vectors are not orthogonal. If you take x as a


c and z as -8a 0 3c, then the vectors are perfectly orthogonal. What


I think the confusion is because your unit cell is not cubic.
The orthogonal check in the code for the orient vectors
is simply that Ox dot Oy = 0, Ox dot Oz = 0, Oy dot Oz = 0.

I think for this geometry you would be better off creating
a custom lattice that is oriented precisely as you wish.