{"id":3940,"date":"2017-06-19T11:24:41","date_gmt":"2017-06-19T11:24:41","guid":{"rendered":"http:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/?page_id=3940"},"modified":"2017-06-19T13:42:03","modified_gmt":"2017-06-19T13:42:03","slug":"questaal","status":"publish","type":"page","link":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/software\/applications\/questaal\/","title":{"rendered":"Questaal"},"content":{"rendered":"<h2>Overview<\/h2>\n<p><strong>Questaal<\/strong>\u00a0is a suite of electronic structure programs. The codes can be used to model arbitrary materials, but they are mostly designed to answer condensed-matter theory questions about solid state (periodic) structures.<\/p>\n<h2>Restrictions on use<\/h2>\n<p>There are no restrictions on access to the software.<\/p>\n<h2>Set up procedure<\/h2>\n<pre>module load apps\/intel-15.0\/questaal\/1<\/pre>\n<h2>Running the application<\/h2>\n<p>There are a number of applications available. You can type one of these at the command-line:<\/p>\n<pre>analyze_lx0\r\nblm\r\ncatdos\r\nccomp\r\ncif2init\r\ncif2site\r\ncleargw\r\ndqpu\r\ndval\r\neps_lmfh\r\neps_lmfh_chipm\r\nepsPP_lmfh\r\nepsPP_lmfh_chipm\r\nfmin\r\nfplot\r\ngw-extract-prodbas-and-time-from-output\r\ngw-extract-qp-from-spex-output\r\ngw_lmfh\r\ngwsc\r\ngwsc10shot\r\ngwsc1shot\r\ninfgw\r\nlm\r\nlm67\r\nlmchk\r\nlmctl\r\nlmdos\r\nlmf\r\nlmf2gw_0\r\nlmf2gw_2\r\nlmfa\r\nlmfdmft\r\nlmfgwd\r\nlmfgws\r\nlmgf\r\nlmgw\r\nlmgw1-shot\r\nlmgwclear\r\nlmgwsc\r\nlmmc\r\nlmpg\r\nlmplan\r\nlmscell\r\nlmstr\r\nlmxbs\r\nmcx\r\nm_gradzr\r\nmkGWIN_lmf2\r\npfit\r\nplbnds\r\npldos\r\nposcar2init\r\nposcar2site\r\nrdcmd\r\nrdfile\r\nsavegwfiles\r\nspectral\r\ntbe<\/pre>\n<h2>Further info<\/h2>\n<p>The <a href=\"https:\/\/www.questaal.org\/\">Questaal project website<\/a>\u00a0has a <a href=\"https:\/\/www.questaal.org\/docs\/package_overview\/\">package overview<\/a>.<\/p>\n<pre><\/pre>\n","protected":false},"excerpt":{"rendered":"<p>Overview Questaal\u00a0is a suite of electronic structure programs. The codes can be used to model arbitrary materials, but they are mostly designed to answer condensed-matter theory questions about solid state (periodic) structures. Restrictions on use There are no restrictions on access to the software. Set up procedure module load apps\/intel-15.0\/questaal\/1 Running the application There are a number of applications available. You can type one of these at the command-line: analyze_lx0 blm catdos ccomp cif2init cif2site.. <a href=\"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/software\/applications\/questaal\/\">Read more &raquo;<\/a><\/p>\n","protected":false},"author":24,"featured_media":0,"parent":31,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-3940","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/pages\/3940","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\/24"}],"replies":[{"embeddable":true,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/comments?post=3940"}],"version-history":[{"count":7,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/pages\/3940\/revisions"}],"predecessor-version":[{"id":3950,"href":"https:\/\/ri.itservices.manchester.ac.uk\/csf-apps\/wp-json\/wp\/v2\/pages\/3940\/revisions\/3950"}],"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=3940"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}