GroupTheory`
GroupTheory`

GTStarOfK

GTStarOfK[group,kvector]

gives the star of the wave vector k for a given group.

Details and Options

  • Let be a set of coset representatives for the decomposition of the space group into left cosets with respect to the group of the wave-vector . The star of is defined to be the set of vectors obtained by .
  • The following option can be given:
  • GOFast GOFastValuecontrols the input validation
    GOLeftCosets Falsecontrols if the left cosets are given as an additional output
  • See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica, chapter 8.6.

Examples

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Basic Examples  (1)

First, load the package:

Then run the examples:

Let's take a body centred cubic lattice with lattice constant 2π.

For example, the star at the point (1/2,1/2,1/2) is calculated.

Options  (3)

GOFast  (2)

The evaluation time can be slightly decreased, using GOFastTrue.

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

GOLeftCosets  (1)