This wiki attempts to create a comprehensible and up-to-date documentation for the Jülich KKR codes.
This wiki attempts to create a comprehensible and up-to-date documentation for the Jülich KKR codes.
It should cover:
It should cover:
* simple explanation and usage of the codes (cf. [quick start guides](https://iffgit.fz-juelich.de/kkr/jukkr/-/wikis/Quick%20start%20guides) with a walkthrough for your first calculation)
* simple explanation and usage of the codes (cf. [quick start guides](https://iffgit.fz-juelich.de/kkr/jukkr/-/wikis/Quick%20start%20guides) with a walkthrough for your first calculation)
* basic examples for standard tasks
* basic examples for standard tasks
* explanations of [special features](https://iffgit.fz-juelich.de/kkr/jukkr/-/wikis/Special%20features)(e.g. magnetic constainig fields, BdG mode for superconductivity)
* explanations of [special features](https://iffgit.fz-juelich.de/kkr/jukkr/-/wikis/Special%20features)(e.g. magnetic constainig fields, BdG mode for superconductivity)
* collection of handy scripts for computation and visualisation
* collection of handy scripts for computation and visualisation
* answers to [frequently asked questions (FAQ)](FAQ)
* answers to [frequently asked questions (FAQ)](FAQ)
*Please help to improve this wiki by contributing through your ideas, writing and reviewing skills.*
*Please help to improve this wiki by contributing through your ideas, writing and reviewing skills.*
**Use the sidebar on the right to navigate through the wiki**
**Use the sidebar on the right to navigate through the wiki**
## Disclaimer
## Disclaimer
The Jülich KKR codes are developed by scientists mostly located at the [Forschungszentrum Jülich](https://www.fz-juelich.de/pgi/pgi-1/EN/Home). The codes contained in this package have a wide variety of [features](introduction) which evolve around the use of a Green function formulation of density functional theory. The use of Green functions. Thus, the codes are more suitable for experts and some previous knowledge of the Green function formulation and it's limitations is necessary.
The Jülich KKR codes are developed by scientists mostly located at the [Forschungszentrum Jülich](https://www.fz-juelich.de/pgi/pgi-1/EN/Home). The codes contained in this package have a wide variety of [features](introduction) which evolve around the use of a Green function formulation of density functional theory. The use of Green functions. Thus, the codes are more suitable for experts and some previous knowledge of the Green function formulation and it's limitations is necessary.
Due to limited time we are not able to provide much help or support for specific calculations (except in cases of collaborations).
Due to limited time we are not able to provide much help or support for specific calculations (except in cases of collaborations).
Please do also [cite the appropriate papers](cite_what) if you are using the Jülich KKR codes.
Please do also [cite the appropriate papers](cite_what) if you are using the Jülich KKR codes.
## Code download and installation
## Code download and installation
Check out our [readme](https://iffgit.fz-juelich.de/kkr/jukkr/blob/master/README.md) for information on how to [download](https://iffgit.fz-juelich.de/kkr/jukkr) and install the codes.
Check out our [readme](https://iffgit.fz-juelich.de/kkr/jukkr/blob/master/README.md) for information on how to [download](https://iffgit.fz-juelich.de/kkr/jukkr) and install the codes.
### Further reading
### Further reading
* See examples of the code usage on the [code's wiki page](https://iffgit.fz-juelich.de/kkr/jukkr/wikis/home)
* See examples of the code usage on the [code's wiki page](https://iffgit.fz-juelich.de/kkr/jukkr/wikis/home)
* Download the [`aiida-kkr` plugin](https://github.com/judftteam/aiida-kkr)
* Download the [`aiida-kkr` plugin](https://github.com/judftteam/aiida-kkr)
* Check the [online documentation of `aiida-kkr`](https://aiida-kkr.readthedocs.io)
* Check the [online documentation of `aiida-kkr`](https://aiida-kkr.readthedocs.io)
## Usage of the wiki
## Usage of the wiki
The wiki consists of a collection of markdown files which can be easily updated.
The wiki consists of a collection of markdown files which can be easily updated.
Take a look at https://docs.gitlab.com/ee/user/project/wiki for more information on the markdown syntax and the features of the wiki.
Take a look at https://docs.gitlab.com/ee/user/project/wiki for more information on the markdown syntax and the features of the wiki.
## Found a bug?
## Found a bug?
If you find any bugs, please file a new issue on the [gitlab page](https://iffgit.fz-juelich.de/kkr/jukkr/issues)
If you find any bugs, please file a new issue on the [gitlab page](https://iffgit.fz-juelich.de/kkr/jukkr/issues)
## Developer resources: source code documentation
## Developer resources
Here you find the automatically generated documentation of the source code: https://kkr.iffgit.fz-juelich.de/jukkr
[Here](https://iffgit.fz-juelich.de/kkr/jukkr/-/wikis/Developer%20guide) you find information for developers like
- the [contributing guide](https://kkr.iffgit.fz-juelich.de/jukkr/page/contributing.html)
## License
- the [automatically generated documentation of the source code](https://kkr.iffgit.fz-juelich.de/jukkr),
- the [CI pipelines](https://iffgit.fz-juelich.de/kkr/jukkr/-/pipelines),
The Jülich KKR codes have the [MIT license](LICENSE).
- or the [test coverage](https://kkr.iffgit.fz-juelich.de/jukkr/page/codecov/index.html).
## License
The Jülich KKR codes have the [MIT license](LICENSE).
