a full-potential all-electron package implementing linearized augmented planewave methods

HoW exciting! 2023 Hands-on Sessions

1. Instructions for the "HoW exciting! 2023" Hands-on Sessions

Please click here for fundamental information on how to set exciting before starting with the calculations performed in the hands-on tutorials!

2. Special Instructions for Running the Jupyter Tutorials

Before running the Jupyter tutorials, make sure you have already set the environment variables as described here!

Click here for instructions on running the Jupyter tutorials!

Together with the exciting neon release, we provide the first tutorials in an executable format using Jupyter notebooks.

If you wish to explore this new feature, you can activate the virtual environment by using the following command:

$ source /data/scratch/how-exciting-2023/jupyter-tutorials-venv/excitingvenv/bin/activate

Afterwards, you can download the newest version of the tutorials here.

Note: Since exciting is already compiled and the virtual environment is already set up, please omit the sections "Installation of the excitingJupyter Tutorial Environment" and "Download and Compile exciting".

You can now launch and run the tutorials by moving in the directory where you downloaded the notebooks and executing the following command:

$ jupyter-notebook