GROUP THEORY SYMBOL

GTClearStructures

GTClearStructures[database]
removes the content of the global variable spcgrp.

DetailsDetails

  • The global variable spcgrp contains a list of all currently implemented structures. With the help of GTClearStructures spcgrp can be cleaned up.
  • See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica

ExamplesExamplesopen allclose all

Basic Examples  (1)Basic Examples  (1)

First, load the package:

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Removes all currently installed structures:

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Read a database with a set of standard structures:

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Define a new structure and add it tio the database

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The diamond structure is already in the database. If we clean up spcgrp we can add the diamond structure to a fresh database.

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Removes all currently installed structures:

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Then new database can be stored :

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