BAND-GUI tutorials

The Getting Started with BAND tutorial will show you how to set up a BAND calculation, run it and visualize results via the Graphical User Interface (ADF-GUI).

If you are not familiar with the ADF-GUI, please have a look at the Introduction and GUI Overview tutorials. The Building Crystals and Slabs tutorial is especially important for BAND users.

See also

• AMS Tutorials
• BAND user manual

• Getting started with BAND

Bonding Analysis

• Periodic Energy Decomposition Analysis - PEDA
• PEDA-NOCV - decomposing the orbital relaxation term
• PEDA-NOCV for Spin Unrestricted Calculations

TD-CDFT and Linear Response Properties

• TD-CDFT Response Properties For Crystals (OldResponse)
• TD-CDFT Response properties for a 2D periodic system (NewResponse)

Model Hamiltonians

• NiO and DFT+U
• Benzene molecule in a magnetic field

Electronic Transport with NEGF

We advise to go through the following NEGF tutorials in the order they are presented.

• Carbon nanotube
• CO on 1D gold chain
• Au-(4,4’-bipyridine)-Au molecular junction
• Spin transport in Chromium wire
• Gate and Bias potentials