GROUP THEORY SYMBOL

GTSaveStructures

GTSaveStructures[database]
saves the content of the global variable spcgrp to a database.

DetailsDetails

  • 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

ExamplesExamplesopen allclose all

Basic Examples  (1)Basic Examples  (1)

First, load the package:

In[1]:=
Click for copyable input

Then install a crystal structure:

In[2]:=
Click for copyable input
In[3]:=
Click for copyable input

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

In[4]:=
Click for copyable input
In[5]:=
Click for copyable input
Out[5]=
Top