GroupTheory`
GroupTheory`

GTSaveStructures

GTSaveStructures[database]

saves the content of the global variable spcgrp to a database.

Details and Options

  • The global variable spcgrp contains a list of all currently implemented structures. With the help of GTSaveStructures spcgrp can be saved to an external file.
  • The database will automatically get the extension ".struc".
  • See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica

Examples

Basic Examples  (1)

First, load the package:

Clear the global variable spcgrp for the test.

Then install a crystal structure:

Using GTSaveStructures, the installed crystal structure is saved to an arbitrary file:

Read the database for a test.