Examples and Tutorials

This section provides practical examples and tutorials for using gauNEGF.

Tutorials

• Ethane Molecule Tutorial
• Silicon Nanowire Tutorial
• Advanced Examples
• Integration Demo

Example Files

Gaussian input files and a script are available in the examples/ directory of the repository:

examples/
|-- ethane.gjf          # Ethane molecule input file
|-- Si2.gjf             # Si2 input file
|-- SiNanowire12.gjf    # 12-atom Si nanowire input file
|-- C2_chain.gjf        # Two-atom carbon chain input file
|-- C3_chain.gjf        # Three-atom carbon chain input file
`-- SiNEGF.py           # Silicon nanowire example

The integration-methods notebook Integration Demo lives in the documentation source as docs/source/examples/IntegralDemo.ipynb.