GROUP THEORY SYMBOL

GTMolToCluster

GTMolToCluster[database,index]
transforms a molecular data set characterized by index from database into a cluster of atoms.

DetailsDetails

  • A molecular data set is transformed into a cluster of atoms. This allows to apply other commands of GTPack to molecules.
  • The following options can be given:
  • GOMolPlotTruePlots the molecule
    GOVerboseTrueControls the output of additional information
  • See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica, chapter 13.1.

ExamplesExamplesopen allclose all

Basic Examples  (1)Basic Examples  (1)

First load the package:

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Get the data from the database.

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The molecule is plotted.

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Options  (2)Options  (2)

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