GroupTheory`
GroupTheory`

GTGroupOfK

GTGroupOfK[group,kvector,reciprocal lattice vectors]

gives the group of the wave vector k.

Details and Options

  • The group of the wave vector k is given by the set of all symmetry operations, that transform the wave-vector k into itself or into an equivalent wave-vector .
  • The following options can be given:
  • GOFast GOFastValueSkips the input validation
    GOTolerance 0.001Sets tolerance for equivalence of k-vectors
  • See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica, chapter 6.3

Examples

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Basic Examples  (3)

First, load the package:

Then run the examples:

Options  (3)

GOFast  (2)

The evaluation time can be decreased, using GOFastTrue.

If GOFastFalse is used, a check of the input will be performed.

GOTolerance  (1)

To avoid a decrease of symmetry due to numerical issues, the transformed k-vectors are rounded with respect to GOTolerance.