GroupTheory`
GroupTheory`

spcgrp

spcgrp

is a global variable saving the installed crystal structures.

Details and Options

  • New crystal structures can be added using GTInstallStructure.
  • Crystal structures can be saved using GTSaveStructures.
  • Crystal structures can be loaded using GTLoadStructures.
  • See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica

Examples

Basic Examples  (2)

First load the package:

Clear all structures in spcgrp

{}

Install a structure.

The global variable contains the space group.

This is another way to clear spcgrp .

This example shows, how a database is loaded into spcgrp.