Welcome to the FLEUR tutorial

The tuturial is structured into a series of different hands-on sessions. Please use the table of content below to navigate through the tutorial.

Most of the tutorials are written in notebook form like this one. You can simply read the text and follow the instructions.

If you are using this tutorial in a container environment as described at the FLEUR documentation webpage you will be able to directly execute the command within the notebooks. PLEASE use shift+enter to execute commands! If you use the notebooks on your own machine, you have to make sure you install FLEUR properly and you need the bash_kernel of jupyter.

Please keep in mind

• the container might have no permanent storage attached. Once you restart the container your changes are gone.
• hence, do not use it for any real work and consider to copy results you want to keep out of the container, e.g. by "downloading" files.
• if you are running this tutorial on your own machine with the script provided, there might be a directory 'persistent_storage' which links to a 'tutorial' folder in your host filesystem.

Outline of the tutorial

• Basic FLEUR usage
• Magnetism in FLEUR
• Advanced Topics
• Using AiiDA with FLEUR (This part of the tutorial requires a special container image.)