GROUP THEORY SYMBOL

GTSGGetIreps

GTSGGetIreps[space group, k-point, reciprocal basis]
gives the character table and the representation matrices of a space group at the wave vector k

DetailsDetails

  • The algorithm is based on an induction scheme as proposed by Aroyo et al.
  • GOVerboseTrueControls if output is printed
    GOGeneralPositionIrepsTrueControls if the character table and representation matrices of the full space group or the character table of the space group of k is printed.
  • M. I. Aroyo et al., Acta Crystallographica Section A, A62, 115–128 (2006).
  • W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica, chapter 6.

ExamplesExamplesopen allclose all

Basic Examples  (1)Basic Examples  (1)

  • First load the package.
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  • We choose the monoclinic space group P21/c (#14). We first specify the monoclinic basis vectors and calculate the corresponding basis vectors of the reciprocal lattice using GTReciprocalBasis. Then we install the space groups using GTInstallGroup.
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    Options  (2)Options  (2)

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