Tutorial 3: Building Crystals and Slabs

In this tutorial we demonstrate the working of several tools that combined give you great flexibility to build periodic structures.

If you are not interested in periodic structures (for example, if you only use ADF), you can skip this tutorial.

The instruments at your disposal are:

• Small database of predefined crystal structures.
• CIF file importer.
• Crystal builder from space group information.
• Super cell tool to enlarge the unit cell
• Slice tool to cut out slabs from any crystal.

To use these tools you need to use ADFinput in periodic mode. For example, by switching to the BAND mode, or by switching to DFTB or Mopac and next changing the periodicity.