Welcome to FLEUR

This is the documentation of the MaX release of FLEUR.

• Installation of FLEUR including some hints for configuration.
• Running FLEUR describes how to actually execute a FLEUR calculation.
• Using the input-generator to generate the full input out of a simple file.
• Basic calculations like self-consistence, DOS and bandstructure calculations.
• XML based input-file: documentation of the input of FLEUR, its features and hints how to use them.
• More advanced features like non-collinear magnetism, SOC, LDA+U.
• The AiiDA interface to FLEUR can be used to generate, run and store complex workflows.

If you are a more expert user or developer, you might be interested in:

• The Fleur gitlab repository.
• Information for developers with the doxygen documentation of the source.
• The doxygen documentation of the source code You will also find some hints for developing FLEUR there.
• The coverage analysis of the source code showing which part of the code are covered by the standard tests.
• Discussion of reasons why v27 gives differences to v26.
• A Guide/Manual for developers of FLEUR.

Part of the documentation of the Version v0.26 of FLEUR was also made available here.

You might also download a pdf-version of the documentation.

The new documentation is under development.