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.