{"id":4293,"date":"2017-10-06T15:12:52","date_gmt":"2017-10-06T15:12:52","guid":{"rendered":"http:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/?page_id=4293"},"modified":"2017-10-06T15:12:52","modified_gmt":"2017-10-06T15:12:52","slug":"dftb","status":"publish","type":"page","link":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/software\/applications\/dftb\/","title":{"rendered":"DFTB+"},"content":{"rendered":"<h2>Overview<\/h2>\n<p><a href=\"https:\/\/www.dftbplus.org\/\">DFTB+<\/a> is an implementation of the Density Functional based Tight Binding (DFTB) method, containing many extensions to the original method. The development is supported by various groups, resulting in a code which is probably the most versatile DFTB implementation, with some unique features not available in other implementations so far.<\/p>\n<h2>Restrictions on use<\/h2>\n<p>None (LGPL licensed).<\/p>\n<h2>Set up procedure<\/h2>\n<p>Load the module <code>apps\/gcc\/dftbplus\/17.1<\/code>.<\/p>\n<h2>Running the application<\/h2>\n<p>See the <a href=\"https:\/\/www.dftbplus.org\/documentation\/\">documentation<\/a> for examples. The components are multi-threaded, so you will want to run in the <code>smp.pe<\/code> parallel environment.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Overview DFTB+ is an implementation of the Density Functional based Tight Binding (DFTB) method, containing many extensions to the original method. The development is supported by various groups, resulting in a code which is probably the most versatile DFTB implementation, with some unique features not available in other implementations so far. Restrictions on use None (LGPL licensed). Set up procedure Load the module apps\/gcc\/dftbplus\/17.1. Running the application See the documentation for examples. The components are.. <a href=\"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/software\/applications\/dftb\/\">Read more &raquo;<\/a><\/p>\n","protected":false},"author":20,"featured_media":0,"parent":31,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-4293","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/pages\/4293","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/users\/20"}],"replies":[{"embeddable":true,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/comments?post=4293"}],"version-history":[{"count":1,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/pages\/4293\/revisions"}],"predecessor-version":[{"id":4294,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/pages\/4293\/revisions\/4294"}],"up":[{"embeddable":true,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/pages\/31"}],"wp:attachment":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/media?parent=4293"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}