{"id":2077,"date":"2010-09-21T14:25:11","date_gmt":"2010-09-21T12:25:11","guid":{"rendered":"http:\/\/www.ehu.es\/sgi\/Arina\/?p=2077"},"modified":"2016-05-17T10:33:07","modified_gmt":"2016-05-17T08:33:07","slug":"nbo-5-2","status":"publish","type":"post","link":"https:\/\/www.ehu.eus\/sgi\/software-de-calculo\/nbo-5-2","title":{"rendered":"NBO 5"},"content":{"rendered":"<p>NBO5 versi\u00f3n 5 del Natural Bond Orbital.<!--more--><\/p>\n<p>Est\u00e1 integrada en gaussian 03 y gamess US (VERSION = 12 JAN 2009).<\/p>\n<dl>\n<dt><strong>Gaussian03<\/strong><\/dt>\n<dd>esta integrada como NBO por defecto en la versi\u00f3n gaussian 03, por lo que hay que usar send_gauss03\u00a0del modo normal.<\/dd>\n<dt><strong>Gamess US<\/strong><\/dt>\n<dd>Se ha creado el\u00a0<tt>script send_gamess_nbo<\/tt> para su uso.<\/p>\n<ul>\n<li><strong>send_gamess_nbo INPUT TIME MEM<\/strong><br \/>\n<strong>INPUT<\/strong> is the gamess+NBO input<br \/>\n<strong>TIME<\/strong> is the time requested for the claculation in 00:00:00 format<br \/>\n<strong>MEM <\/strong>is the memory in gb<\/li>\n<\/ul>\n<\/dd>\n<\/dl>\n<p><a href=\"http:\/\/www.chem.wisc.edu\/~nbo5\/\" target=\"_top\"><big>Manual en l\u00ednea y Tutoriales<\/big><\/a>.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>NBO5 versi\u00f3n 5 del Natural Bond Orbital.<\/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":[148,3],"tags":[],"_links":{"self":[{"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/posts\/2077"}],"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=2077"}],"version-history":[{"count":4,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/posts\/2077\/revisions"}],"predecessor-version":[{"id":8508,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/posts\/2077\/revisions\/8508"}],"wp:attachment":[{"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/media?parent=2077"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/categories?post=2077"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/tags?post=2077"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}