{"id":8811,"date":"2018-02-27T14:23:05","date_gmt":"2018-02-27T12:23:05","guid":{"rendered":"http:\/\/www.ehu.eus\/sgi\/?p=8811"},"modified":"2018-02-27T14:23:05","modified_gmt":"2018-02-27T12:23:05","slug":"vasp-3","status":"publish","type":"post","link":"https:\/\/www.ehu.eus\/sgi\/uncategorized-en\/vasp-3","title":{"rendered":"VASP"},"content":{"rendered":"<h2>General information<\/h2>\n<div><strong>V<\/strong>ienna <strong>A<\/strong>b-initio of <strong>S<\/strong>imulation <strong>P<\/strong>ackage<\/div>\n<p>5.4.4 version of the DFT ab-initio program. It uses plane wave basis and pseudopotentials (ultrasoft and PAW-augmented wave method). <a href=\"http:\/\/theory.cm.utexas.edu\/vtsttools\/\" target=\"_blank\" rel=\"noopener\">VSTS<\/a> tools has been included.<\/p>\n<p>License is needed.<\/p>\n<h2>How to use<\/h2>\n<p>To usu VASP in parallel is enougth to execute:<\/p>\n<pre>\/software\/bin\/vasp<\/pre>\n<p>[intlink id=\u00bb1353&#8243; type=\u00bbpost\u00bb]p4vasp[\/intlink], [intlink id=\u00bb5514&#8243; type=\u00bbpost\u00bb]XCrySDen[\/intlink] is installed.<\/p>\n<pre>v2xsf\r\n<\/pre>\n<h2>Job monitorization<\/h2>\n<p>The convergence of a running job can be monitorized with:<\/p>\n<pre>remote_vi JOB_ID<\/pre>\n<p>that will open the OSZICAR and OUTCAR files in additon to plot the energy and energy variation. It is necessary to use ssh -X or to use X2GO to open the graphic windows.<\/p>\n<h2>More information<\/h2>\n<p><a href=\"http:\/\/cms.mpi.univie.ac.at\/vasp\/\" target=\"_blank\" rel=\"noopener\">VASP home page y manuals<\/a>.<\/p>\n<p><a href=\"http:\/\/theory.cm.utexas.edu\/vtsttools\/\" target=\"_blank\" rel=\"noopener\">VTST tools.<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"<p>General information Vienna Ab-initio of Simulation Package 5.4.4 version of the DFT ab-initio program. It uses plane wave basis and pseudopotentials (ultrasoft and PAW-augmented wave method). VSTS tools has been included. License is needed. How to use To usu VASP in parallel is enougth to execute: \/software\/bin\/vasp [intlink id=\u00bb1353&#8243; type=\u00bbpost\u00bb]p4vasp[\/intlink], [intlink id=\u00bb5514&#8243; type=\u00bbpost\u00bb]XCrySDen[\/intlink] is installed. &hellip; <a href=\"https:\/\/www.ehu.eus\/sgi\/uncategorized-en\/vasp-3\" class=\"more-link\">Seguir leyendo <span class=\"screen-reader-text\">VASP<\/span> <span class=\"meta-nav\">&rarr;<\/span><\/a><\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_links_to":"","_links_to_target":""},"categories":[63],"tags":[],"_links":{"self":[{"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/posts\/8811"}],"collection":[{"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/comments?post=8811"}],"version-history":[{"count":1,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/posts\/8811\/revisions"}],"predecessor-version":[{"id":8815,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/posts\/8811\/revisions\/8815"}],"wp:attachment":[{"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/media?parent=8811"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/categories?post=8811"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/tags?post=8811"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}