SYMMETRY

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SYMMETRY isym 

FEFF uses symmetry to reduce the list of paths. This process is automated and takes into account both the properties of the system and of the spectroscopy (eg., time reversal symmetry, ...). However sometimes one may wish to control the type of symmetry directly using the SYMMETRY card with isym ranging from 1 to 7.

  1. any path rotation, reflection and reversal are allowed
  2. any rotation around evec, reflections in planes normal and parallel to evec, path reversal
  3. reflections in 2 planes (xivec, evec) and (xivec, B field)
  4. rotations around xivec, path reversal
  5. rotations around spin axis
  6. only 180 degrees rotation around spin axis
  7. no symmetry operations
* force using no symmetry at all - warning : long and slow path list!
SYMMETRY 7
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