[lammps-users] Tilt Factor Adjustment

Hi all,

Hope this email finds you well.
I have a problem adjusting the tilt factor for my triclinic box. After searching the mail list postings and the LAMMPS documentation, I found that there is a coupling between xz and yz tilt factors. For example, imagine my third lattice vector, say, C=(xz,yz,zhi-zlo), I need to change xz and yz at the same time once I want to change one of them because this is a vector.

In my case, box size:

0.00000000 59.38 xlo xhi
0.00000000 5.60 ylo yhi
0.00000000 24.24 zlo zhi
3.38 -17.54 5.32 xy xz yz

If I rewrite yz as: yz = yz - ly = 5.32 - 5.60 = -0.28, and I have to rewrite xz as: xz = xz - xy = -17.54 - 3.38 = -20.92, if I’m correct.

However I still end up with a changed geometry. Could you please correct me?

Sincerely,
Joe