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This wiki attempts to create a comprehensible and up-to-date documentation for the Jülich KKR codes.
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This wiki attempts to create a comprehensible and up-to-date documentation for the Jülich KKR codes.
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It should cover
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It should cover
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- simple explanation and usage of the codes
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- basic examples for standard tasks
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- collection of handy scripts for computation / visualisation
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- FAQ
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* simple explanation and usage of the codes
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*Please help to improve this wiki by contributing through your ideas, writing and reviewing skills.*
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* basic examples for standard tasks
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* collection of handy scripts for computation / visualization
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* FAQ
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*Please help to improve this KKRdoku by contributing through your ideas, writing and reviewing skills.*
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**Use the sidebar on the right to navigate through the wiki**
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**Use the sidebar on the right to navigate through the wiki**
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## Code documentation
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## Disclaimer
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Here you find the automatically generated documentation of the source code: https://kkr.iffgit.fz-juelich.de/jukkr
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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](intro) 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.
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Due to limited time we are not able to provide much help or support for specific calculations (except in cases of collaborations).
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Please do also [cite the appropriate papers](cite_what) if you are using the Jülich KKR codes.
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## Code download and installation
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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.
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### Further reading
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* See examples of the code usage on the [code's wiki page](https://iffgit.fz-juelich.de/kkr/jukkr/wikis/home) ([old dokuwiki version](https://iffwiki.fz-juelich.de/kkr/doku.php))
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* Download the [`aiida-kkr` plugin](https://github.com/broeder-j/aiida-kkr)
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* Check the [online documentation of `aiida-kkr`](https://aiida-kkr.readthedocs.io)
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## How to contribute
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## Usage of the wiki
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The wiki consists of a collection of markdown files which can be easily updated.
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The wiki consists of a collection of markdown files which can be easily updated.
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Take a look at https://docs.gitlab.com/ee/user/project/wiki for more information.
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Take a look at https://docs.gitlab.com/ee/user/project/wiki for more information.
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## Found a bug?
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If you find any bugs, please file a new issue on the [gitlab page](https://iffgit.fz-juelich.de/kkr/jukkr/issues)
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## Developer resources: source code documentation
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Here you find the automatically generated documentation of the source code: https://kkr.iffgit.fz-juelich.de/jukkr
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## License
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The Jülich KKR codes have the [MIT license](LICENSE). |
