In the zip file provided along with the tutorial, there is a file called
MonkhorstPack.py.
If you are running the scripts from the command line, this file should be placed in the same directory as the main script.
If you are running everything from VNL (by dropping the scripts on the Job Manager), you should place this file in the directory
- Windows: C:\Program Files\QuantumWise\Virtual NanoLab 2008.10.0\atk\lib\site-packages (modify as needed if you installed the software elsewhere)
- Linux: {vnl}/atk/lib/python2.4/site-packages where {vnl} is the VNL installation directory
You will probably have to create the directory itself as well.