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Topics - rajdeep

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Support Forum / Lattice rotation
« on: March 14, 2019, 02:03:38 PM »
Dear all,

I have a LAMMPS data file (unit cell) of TiAl which is a face centered tetragonal (FCT) lattice. In this data file my X, Y and Z axes are oriented along  <100>, <010>, and <001>, respectively.
I would like to rotate the lattice in such a way so that my new X, Y and Z are aligned with <-211>, <111>, and <01-1>, respectively. In order to accomplish this within OVITO, I applied the affine transformation option but the new lattice become triclinic. Please see the attached snapshot.

My question is does this affine transformation option can rotate my lattice in the desired crystallographic orientation? If so, after the transformation how I can wrap the atoms in a orthogonal cell?


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