GroupTheory`Wyckoff`

GTLoadWyckoff

loads a list of installed space groups with Wyckoff positions from a database.

Details and Options

All installed space groups and Wyckoff positions are saved during a GTPack session in the global variable wyckoff. With the help of GTLoadWyckoff space groups and the corresponding Wyckoff positions from an external file can be loaded into wyckoff.
GTPack provides a list of space groups and their Wyckoff positions in GTPack.wyck.
To save structures to an external file GTSaveWyckoff can be used.
The database must have the extension ".wyck". This extension will be automatically added.
This command is not explained in:
See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica, chapter 9.4

First, load the package:

Set the directory accordingly:

Load the database GTPack.wyck