rotate

Full name: ase2sprkkr.ase.build.rotate

ase2sprkkr.ase.build.rotate(atoms, hkl)[source]

Rotate the atoms according the given Miller coordinates.

Parameters:
  • atoms (Atoms) – The atoms to be rotated and shifted

  • hkl (Tuple[float]) – Miller indices. The atoms will be rotated so that the last axis will be perpendicular to the plane and the other will be parallel.