{"id":1599,"date":"2010-09-17T12:56:20","date_gmt":"2010-09-17T10:56:20","guid":{"rendered":"http:\/\/www.ehu.es\/sgi\/Arina\/?p=1599"},"modified":"2016-04-04T15:31:34","modified_gmt":"2016-04-04T13:31:34","slug":"adf-2","status":"publish","type":"post","link":"https:\/\/www.ehu.eus\/sgi\/kalkulu-softwarea\/adf-2","title":{"rendered":"ADF"},"content":{"rendered":"<h2>Informazio orokorra<\/h2>\n<p><strong>A<\/strong>msterdam\u00a0<strong>D<\/strong>ensity\u00a0<strong>F<\/strong>unctional (2016.01 bertsioa).<\/p>\n<p><span style=\"font-size: 13.2px;\">The ADF package is software for first-principles electronic structure calculations. ADF is used by academic and industrial researchers in such diverse fields as pharmacochemistry and materials science. It is particularly popular in the research areas of homogeneous and heterogeneous catalysis, inorganic chemistry, heavy element chemistry, various types of spectroscopy, and biochemistry. Key Benefits of ADF<\/span><\/p>\n<ul>\n<li>Spectroscopic properties and environments for any type of molecule<\/li>\n<li>Excels in transition and heavy metal compounds<\/li>\n<li>Accurate, robust, and fast<\/li>\n<li>Expert staff and active community<\/li>\n<li>Uses Slater functions, beats Gaussians!<\/li>\n<\/ul>\n<p>ADF-ek bai molekulak bai solidoak kalkula ditzake (ADFBAND). Tresna grafiko potenteak ditu eta emaitzen azterketarako (<strong>Katramila<\/strong>-etik erabili daitezke soilik).<\/p>\n<p><strong>4\u00a0koreentzako<\/strong> lizentzia dauka zerbitzuak.<\/p>\n<h2>Nola erabili<\/h2>\n<p>Tresna grafikoak egikaritzeko erabili, <strong>Katramilan<\/strong>,<\/p>\n<pre><code>adfview<\/code><\/pre>\n<p>Arinatik\u00a0<code>adfinput<\/code> tresnarekin sortutako lan bat kolara bidaltzeko <code>send_adf<\/code> komandoa gomendatzen dugu, bere sintaxia honakoa delarik:<\/p>\n<pre><code>send_adf JOBNAME NODES PROCS[property] TIME MEM [``Otherqueue options'' ]<\/code><\/pre>\n<ul>\n<li><strong>JOBNAME:<\/strong> input-aren izena, extensiorik gabe (file.run izan behar du).<\/li>\n<li><strong>NODES<\/strong>: Nodo kopurua.<\/li>\n<li><strong>PROCS:<\/strong> Prozesagailu kopurua.<\/li>\n<li><strong>TIME:<\/strong>Eskatutako denbora hh:mm:ss formatuan.<\/li>\n<li><strong>MEM:<\/strong> memoria GB-etan.<\/li>\n<li><strong>[\u00abOtras opciones de Torque\u00bb] <\/strong>Kolari adierazi nahi zazikion beste aukera batzuk<strong>.<\/strong><\/li>\n<\/ul>\n<pre><\/pre>\n<h3>Adibidea<\/h3>\n<p>Adibidez au_min2.run inputa bidaltzeko 4\u00a0prozesadoretara, 20 orduko walltimekin eta 4 GB RAM erabili<\/p>\n<pre>send_adf au_min2.run 1 4 20:00:00 4<\/pre>\n<h2>Informazio gehiago<\/h2>\n<p><a href=\"http:\/\/www.scm.com\/Welcome.html\">ADFko web orrialdea<\/a>.<\/p>\n<p><a title=\"ADF documentazioa\" href=\"https:\/\/www.scm.com\/product\/adf\/\" target=\"_blank\">ADFko documentazioa<\/a>.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Informazio orokorra Amsterdam\u00a0Density\u00a0Functional (2016.01 bertsioa). The ADF package is software for first-principles electronic structure calculations. ADF is used by academic and industrial researchers in such diverse fields as pharmacochemistry and materials science. It is particularly popular in the research areas of homogeneous and heterogeneous catalysis, inorganic chemistry, heavy element chemistry, various types of spectroscopy, and &hellip; <a href=\"https:\/\/www.ehu.eus\/sgi\/kalkulu-softwarea\/adf-2\" class=\"more-link\">Seguir leyendo <span class=\"screen-reader-text\">ADF<\/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":[66],"tags":[],"_links":{"self":[{"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/posts\/1599"}],"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=1599"}],"version-history":[{"count":17,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/posts\/1599\/revisions"}],"predecessor-version":[{"id":8486,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/posts\/1599\/revisions\/8486"}],"wp:attachment":[{"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/media?parent=1599"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/categories?post=1599"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/tags?post=1599"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}