GTVibModeSymmetry

GTVibModeSymmetry[molecular data]
gives the vibrational modes of a molecule.

DetailsDetails

  • The following options can be given:
  • GOFastGOFastValueSkips the input validation
    GOIrepNotation"Bethe"Specifies the notation of the irreducible representation
    GOVerboseTrueControls the output of additional information
  • See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica, chapter 13.1.2

ExamplesExamplesopen allclose all

Basic Examples  (1)Basic Examples  (1)

First load the package:

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Set the directory to read data sets.

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Read the data of Ammonia fro the database.

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Specify the parameters of the structure.

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Calculate the symmetry of the vibration modes.

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