User documentation for the MaX 5.0 release
The user documentation for the MaX 5.0 release has to be written.
This may also involve certain new topics and other major parts that have to be rewritten. This issue has the purpose to collect these points.
- The section on the input generator has to be adapted to inpgen2.
- We might want to have a section on hybrid functionals.
- We should check whether MCD calculations can be performed and write a section on this.
- I recently got a question on VCA and didn't know how to answer it. A section on this is also missing.
- We might have to adapt and extend the section on noncollinear magnetism with respect to recent changes.
- I don't know whether there already is something for the user from the Green function code.
- Frank wrote a lot on Wannier functions. We should make sure that all of this is integrated into every part of the documentation (including the PDF). We might have to adapt the style slightly.
- Everything related to k-point sets might have to be adapted to the changes. This includes the section on band structure calculations and so.
- We should have at least some more text on the LibXC that discusses what is supported and what doesn't work. There are many questions on Fleur's LibXc support.
- The section on the Fleur input file has to be adapted to the changes.
- Document force levels.
- We need documentation on the banddos.hdf file. (reference and a more practical section)
Everybody is welcome to add to this list.