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{"@context":"https://schema.org","@type":"BreadcrumbList","itemListElement":[{"@type":"ListItem","position":1,"name":"kkr","item":"https://iffgit.fz-juelich.de/kkr"},{"@type":"ListItem","position":2,"name":"jukkr","item":"https://iffgit.fz-juelich.de/kkr/jukkr"},{"@type":"ListItem","position":3,"name":"Wiki","item":"https://iffgit.fz-juelich.de/kkr/jukkr/-/wikis/home"},{"@type":"ListItem","position":4,"name":"Home","item":"https://iffgit.fz-juelich.de/kkr/jukkr/-/wikis/home"}]} </script> <div data-testid="breadcrumb-links" id="js-vue-page-breadcrumbs-wrapper"> <div data-breadcrumbs-json="[{"text":"kkr","href":"/kkr","avatarPath":"/uploads/-/system/group/avatar/3/juKKR_logo_square_new.jpg"},{"text":"jukkr","href":"/kkr/jukkr","avatarPath":"/uploads/-/system/project/avatar/403/juKKR_logo_square_new.jpg"},{"text":"Wiki","href":"/kkr/jukkr/-/wikis/home","avatarPath":null},{"text":"Home","href":"/kkr/jukkr/-/wikis/home","avatarPath":null}]" id="js-vue-page-breadcrumbs"></div> <div 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data-format-options="{"Markdown":"markdown","RDoc":"rdoc","AsciiDoc":"asciidoc","Org":"org"}" data-history-url="/kkr/jukkr/-/wikis/home/history" data-is-page-historical="false" data-is-page-template="false" data-last-version="#<Commit:0x00007ff931f60f18>" data-new-url="/kkr/jukkr/-/wikis/new" data-page-heading="Home" data-page-info="{"last_commit_sha":"f05a828a0b4666442e6b542d8bee7f40447ee958","persisted":true,"title":"home","content":"# Wiki of the JuKKR codes\r\n\r\nThis wiki attempts to create a comprehensible and up-to-date documentation for the J眉lich KKR codes.\r\n\r\nIt should cover:\r\n\r\n* simple聽explanation聽and聽usage聽of聽the聽codes (cf. [quick start guides](https://iffgit.fz-juelich.de/kkr/jukkr/-/wikis/Quick%20start%20guides) with a walkthrough for your first calculation)\r\n* basic聽examples聽for聽standard聽tasks\r\n* explanations of [special features](https://iffgit.fz-juelich.de/kkr/jukkr/-/wikis/Special%20features) (e.g. magnetic constainig fields, BdG mode for superconductivity)\r\n* collection聽of聽handy聽scripts聽for聽computation聽and聽visualisation\r\n* answers to [frequently asked questions (FAQ)](FAQ)\r\n\r\n*Please help to improve this wiki by contributing through your ideas, writing and reviewing skills.*\r\n\r\n**Use the sidebar on the right to navigate through the wiki**\r\n\r\n## Disclaimer\r\n\r\nThe J眉lich KKR codes are developed by scientists mostly located at the [Forschungszentrum J眉lich](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.\r\n\r\nDue to limited time we are not able to provide much help or support for specific calculations (except in cases of collaborations).\r\n\r\nPlease do also [cite the appropriate papers](cite_what) if you are using the J眉lich KKR codes.\r\n\r\n\r\n## Code download and installation\r\n\r\nCheck 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.\r\n\r\n\r\n### Further reading\r\n * See examples of the code usage on the [code's wiki page](https://iffgit.fz-juelich.de/kkr/jukkr/wikis/home)\r\n * Download the [`aiida-kkr` plugin](https://github.com/judftteam/aiida-kkr)\r\n * Check the [online documentation of `aiida-kkr`](https://aiida-kkr.readthedocs.io)\r\n\r\n\r\n## Usage of the wiki\r\n\r\nThe wiki consists of a collection of markdown files which can be easily updated.\r\nTake a look at https://docs.gitlab.com/ee/user/project/wiki for more information on the markdown syntax and the features of the wiki.\r\n\r\n\r\n## Found a bug?\r\n\r\nIf you find any bugs, please file a new issue on the [gitlab page](https://iffgit.fz-juelich.de/kkr/jukkr/issues)\r\n\r\n\r\n## Developer resources\r\n\r\n[Here](https://iffgit.fz-juelich.de/kkr/jukkr/-/wikis/Developer%20guide) you find information for developers like\r\n- the [changelog](https://iffgit.fz-juelich.de/kkr/jukkr/-/blob/develop/CHANGELOG.md),\r\n- the [contributing guide](https://kkr.iffgit.fz-juelich.de/jukkr/page/contributing.html)\r\n- the [automatically generated documentation of the source code](https://kkr.iffgit.fz-juelich.de/jukkr),\r\n- the [CI pipelines](https://iffgit.fz-juelich.de/kkr/jukkr/-/pipelines),\r\n- or the [test coverage](https://kkr.iffgit.fz-juelich.de/jukkr/page/codecov/index.html).\r\n\r\n\r\n## License\r\n\r\nThe J眉lich KKR codes have the [MIT license](LICENSE).\r\n","front_matter":{},"format":"markdown","uploads_path":"https://iffgit.fz-juelich.de/api/v4/projects/403/wikis/attachments","slug":"home","path":"/kkr/jukkr/-/wikis/home","wiki_path":"/kkr/jukkr/-/wikis/home","help_path":"/help/user/project/wiki/index.md","markdown_help_path":"/help/user/markdown.md","markdown_preview_path":"/kkr/jukkr/-/wikis/home/preview_markdown","create_path":"/kkr/jukkr/-/wikis"}" data-page-persisted="false" data-page-version="{"id":"f05a828a0b4666442e6b542d8bee7f40447ee958","message":"Update home","parent_ids":["be3bb1bb282b803e3cc69a5f9601c5d48eae1963"],"authored_date":"2024-11-26T10:19:44.000+00:00","author_name":"Philipp R眉ssmann","author_email":"p.ruessmann@fz-juelich.de","committed_date":"2024-11-26T10:19:44.000+00:00","committer_name":"Philipp R眉ssmann","committer_email":"p.ruessmann@fz-juelich.de","trailers":{},"extended_trailers":{},"referenced_by":[]}" data-show-edit-button="false" data-templates="[]" data-templates-url="/kkr/jukkr/-/wikis/templates" data-testid="wiki-page-content-app" data-wiki-path="jukkr.wiki" data-wiki-url="/kkr/jukkr/-/wikis/home" id="js-vue-wiki-content-app"></div> <aside aria-label="Wiki" class="right-sidebar right-sidebar-expanded wiki-sidebar js-wiki-sidebar js-right-sidebar gl-hidden" data-offset-top="50" data-spy="affix"> <div class="js-wiki-sidebar-resizer"></div> <div class="sidebar-container"> <div class="block gl-mb-3 gl-mx-5 gl-mt-5 gl-block sm:gl-hidden !gl-pt-0"> <a class="gutter-toggle gl-float-right gl-block md:gl-hidden js-sidebar-wiki-toggle" href="#"> <svg class="s16 gl-icon" data-testid="chevron-double-lg-right-icon"><use href="/assets/icons-8791a66659d025e0a4c801978c79a1fbd82db1d27d85f044a35728ea7cf0ae80.svg#chevron-double-lg-right"></use></svg> </a> </div> <div class="js-wiki-toc"></div> <div class="blocks-container !gl-px-3 !gl-my-5"> <div class="gl-flex gl-place-content-between gl-items-center gl-pb-3 gl-pr-1 js-wiki-expand-pages-list 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</div> </div> <div data-can-create="false" data-has-custom-sidebar="true" data-view-all-pages-path="/kkr/jukkr/-/wikis/pages" id="js-wiki-sidebar-entries"></div> <div class="gl-px-4 gl-pt-4 gl-pb-2"> <h5 data-sourcepos="1:1-1:13" dir="auto">
<a href="#general" aria-hidden="true" class="anchor" id="user-content-general"></a>General</h5>
<ul data-sourcepos="2:3-8:0" dir="auto">
<li data-sourcepos="2:3-2:17"><a data-sourcepos="2:5-2:17" href="/kkr/jukkr/-/wikis/home" data-canonical-src="home">Start</a></li>
<li data-sourcepos="3:3-3:32"><a data-sourcepos="3:5-3:32" href="/kkr/jukkr/-/wikis/introduction" data-canonical-src="introduction">Introduction</a></li>
<li data-sourcepos="4:3-4:44"><a data-sourcepos="1:1-1:44" href="/kkr/jukkr/-/wikis/Quick%20start%20guides" data-canonical-src="Quick%20start%20guides">Quick start guides</a></li>
<li data-sourcepos="5:3-5:40"><a data-sourcepos="1:1-1:38" href="/kkr/jukkr/-/wikis/Special%20features" data-canonical-src="Special%20features">Special features</a></li>
<li data-sourcepos="6:3-6:14"><a data-sourcepos="6:5-6:14" href="/kkr/jukkr/-/wikis/FAQ" data-canonical-src="FAQ">FAQ</a></li>
<li data-sourcepos="7:3-8:0"><a data-sourcepos="1:1-1:36" href="/kkr/jukkr/-/wikis/Developer%20guide" data-canonical-src="Developer%20guide">Developer guide</a></li>
</ul>
<hr data-sourcepos="9:1-10:0">
<h5 data-sourcepos="11:1-11:21" dir="auto">
<a href="#voronoi-program" aria-hidden="true" class="anchor" id="user-content-voronoi-program"></a>Voronoi program</h5>
<ul data-sourcepos="12:3-13:0" dir="auto">
<li data-sourcepos="12:3-13:0"><a data-sourcepos="12:5-12:46" href="/kkr/jukkr/-/wikis/voronoi/voronoi_program" data-canonical-src="voronoi/voronoi_program">Getting started</a></li>
</ul>
<hr data-sourcepos="14:1-15:0">
<h5 data-sourcepos="16:1-16:18" dir="auto">
<a href="#kkrhost-code" aria-hidden="true" class="anchor" id="user-content-kkrhost-code"></a>KKRhost code</h5>
<ul data-sourcepos="17:3-19:0" dir="auto">
<li data-sourcepos="17:3-17:43"><a data-sourcepos="17:5-17:43" href="/kkr/jukkr/-/wikis/jumu/getting_started" data-canonical-src="jumu/getting_started">Getting started</a></li>
<li data-sourcepos="18:3-19:0"><a data-sourcepos="18:5-18:53" href="/kkr/jukkr/-/wikis/jumu/perform_calculations" data-canonical-src="jumu/perform_calculations">Perform calculations</a></li>
</ul>
<hr data-sourcepos="20:1-20:10">
<h5 data-sourcepos="21:1-21:24" dir="auto">
<a href="#fermi-surface-code" aria-hidden="true" class="anchor" id="user-content-fermi-surface-code"></a>Fermi surface code</h5>
<ul data-sourcepos="22:3-24:0" dir="auto">
<li data-sourcepos="22:3-22:34"><a data-sourcepos="22:5-22:34" href="/kkr/jukkr/-/wikis/fermi_surface/theory" data-canonical-src="fermi_surface/theory">Theory</a></li>
<li data-sourcepos="23:3-24:0"><a data-sourcepos="23:5-23:62" href="/kkr/jukkr/-/wikis/fermi_surface/perform_calculations" data-canonical-src="fermi_surface/perform_calculations">Perform calculations</a></li>
</ul>
<hr data-sourcepos="25:1-25:10">
<h5 data-sourcepos="26:1-26:20" dir="auto">
<a href="#kkrimp-program" aria-hidden="true" class="anchor" id="user-content-kkrimp-program"></a>KKRimp program</h5>
<ul data-sourcepos="27:3-30:0" dir="auto">
<li data-sourcepos="27:3-27:27"><a data-sourcepos="27:5-27:27" href="/kkr/jukkr/-/wikis/kkrimp/theory" data-canonical-src="kkrimp/theory">Theory</a></li>
<li data-sourcepos="28:3-28:43"><a data-sourcepos="28:5-28:43" href="/kkr/jukkr/-/wikis/kkrimp/prepare" data-canonical-src="kkrimp/prepare">Source and main files</a></li>
<li data-sourcepos="29:3-30:0"><a data-sourcepos="29:5-29:42" href="/kkr/jukkr/-/wikis/kkrimp/perform" data-canonical-src="kkrimp/perform">Perform calculations</a></li>
</ul>
<hr data-sourcepos="31:1-31:10">
<h5 data-sourcepos="32:1-32:21" dir="auto">
<a href="#scattering-code" aria-hidden="true" class="anchor" id="user-content-scattering-code"></a>Scattering code</h5>
<ul data-sourcepos="33:3-36:0" dir="auto">
<li data-sourcepos="33:3-33:31"><a data-sourcepos="33:5-33:31" href="/kkr/jukkr/-/wikis/scattering/theory" data-canonical-src="scattering/theory">Theory</a></li>
<li data-sourcepos="34:3-34:47"><a data-sourcepos="34:5-34:47" href="/kkr/jukkr/-/wikis/scattering/prepare" data-canonical-src="scattering/prepare">Source and main files</a></li>
<li data-sourcepos="35:3-36:0"><a data-sourcepos="35:5-35:59" href="/kkr/jukkr/-/wikis/scattering/perform_calculations" data-canonical-src="scattering/perform_calculations">Perform calculations</a></li>
</ul>
<hr data-sourcepos="37:1-37:10">
<h5 data-sourcepos="38:1-38:21" dir="auto">
<a href="#kkrsusc-program" aria-hidden="true" class="anchor" id="user-content-kkrsusc-program"></a>KKRsusc program</h5>
<ul data-sourcepos="39:3-42:0" dir="auto">
<li data-sourcepos="39:3-39:28"><a data-sourcepos="39:5-39:28" href="/kkr/jukkr/-/wikis/kkrsusc/theory" data-canonical-src="kkrsusc/theory">Theory</a></li>
<li data-sourcepos="40:3-40:44"><a data-sourcepos="40:5-40:44" href="/kkr/jukkr/-/wikis/kkrsusc/prepare" data-canonical-src="kkrsusc/prepare">Source and main files</a></li>
<li data-sourcepos="41:3-42:0"><a data-sourcepos="41:5-41:43" href="/kkr/jukkr/-/wikis/kkrsusc/perform" data-canonical-src="kkrsusc/perform">Perform calculations</a></li>
</ul>
<hr data-sourcepos="43:1-44:0">
<h5 data-sourcepos="45:1-45:21" dir="auto">
<a href="#kkrnano-program" aria-hidden="true" class="anchor" id="user-content-kkrnano-program"></a>KKRnano program</h5>
<ul data-sourcepos="46:3-48:43" dir="auto">
<li data-sourcepos="46:3-46:28"><a data-sourcepos="46:5-46:28" href="/kkr/jukkr/-/wikis/kkrnano/theory" data-canonical-src="kkrnano/theory">Theory</a></li>
<li data-sourcepos="47:3-47:44"><a data-sourcepos="47:5-47:44" href="/kkr/jukkr/-/wikis/kkrnano/prepare" data-canonical-src="kkrnano/prepare">Source and main files</a></li>
<li data-sourcepos="48:3-48:43"><a data-sourcepos="48:5-48:43" href="/kkr/jukkr/-/wikis/kkrnano/perform" data-canonical-src="kkrnano/perform">Perform calculations</a></li>
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