GROUP THEORY PACKAGE SYMBOL

GTInstallStructure

GTInstallStructure[crystal structure]
adds a new crystal structure to the global variable spcgrp.

DetailsDetails

  • Before adding a new crystal structure to the global variable spcgrp, GTInstallStructure checks, if crystal structure was already installed.
  • After installation the number of installed structures is printed.
  • Installed structures can be saved using GTSaveStructures.
  • See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica, chapter B.3

ExamplesExamplesopen allclose all

Basic Examples  (1)Basic Examples  (1)

First, load the package:

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We start with an empty internal variable spcgrp.

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Then install a crystal structure:

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