{"id":1655,"date":"2010-09-17T15:52:44","date_gmt":"2010-09-17T13:52:44","guid":{"rendered":"http:\/\/www.ehu.es\/sgi\/Arina\/?p=1655"},"modified":"2010-10-28T12:20:48","modified_gmt":"2010-10-28T10:20:48","slug":"yambo","status":"publish","type":"post","link":"https:\/\/www.ehu.eus\/sgi\/software-de-calculo\/yambo","title":{"rendered":"Yambo"},"content":{"rendered":"<p>\ufeff3.2.2 version of the program for Many-Body calculations in solid state and molecular physics.<br \/>\n<!--more--><\/p>\n<h2>Informaci\u00f3n general<\/h2>\n<p>Yambo relies on the Kohn-Sham wavefunctions generated by two DFT public codes: \u00a0[intlink id=\u00bb573&#8243; type=\u00bbpost\u00bb]abinit[\/intlink] and\u00a0 [intlink id=\u00bb591&#8243; type=\u00bbpost\u00bb]PWscf (espresso)[\/intlink]. Previous to its release under the GPL license, yambo was known as SELF.<\/p>\n<p>Features:<\/p>\n<ul>\n<li>Quasiparticle energies within the GW approximation.<\/li>\n<li>Electron loss and optical absorption spectra of solids, and dynamical polarizability of molecules at different level of theory. Random Phase Approximation Time Dependent Local Density Approximation Bethe-Salpeter equation.<\/li>\n<\/ul>\n<p>Incluye los binarios <code>a2y<\/code>, <code>p2y<\/code> y <code>yambo<\/code>. Ha sido compilado con paralelizaci\u00f3n y soporte para NetCDF (en los opteron sin NetCDF).<\/p>\n<h2>Como usar<\/h2>\n<p>Para ejecutar la versi\u00f3n paralela basta con incluir en los scripts de\u00a0[intlink id=\u00bb19&#8243; type=\u00bbpost\u00bb]Torque[\/intlink], por ejemplo:<\/p>\n<pre>\/software\/bin\/yambo\/a2y -F input_file_KSS\r\n\/software\/bin\/yambo\/yambo -F input_file<\/pre>\n<p><strong>Nota en P\u00e9ndulo<\/strong>: Est\u00e1 instalada la versi\u00f3n 3.2.1. Ejecutar como en los ejemplos anteriores,. En P\u00e9ndulo todos los ficheros han de estar en el mismo directorio desde donde se lanza el scrip de torque. Copiar las bases de datos en este directorio y luego en el scrip de torque crear el directorio SAVE en scratch y moverlos all\u00ed.<\/p>\n<h2>M\u00e1s informaci\u00f3n<\/h2>\n<p><a href=\"http:\/\/www.yambo-code.org\/\" target=\"_blank\">P\u00e1gina web de Yambo y documentaci\u00f3n.<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"<p>\ufeff3.2.2 version of the program for Many-Body calculations in solid state and molecular physics.<\/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\/1655"}],"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=1655"}],"version-history":[{"count":7,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/posts\/1655\/revisions"}],"predecessor-version":[{"id":3320,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/posts\/1655\/revisions\/3320"}],"wp:attachment":[{"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/media?parent=1655"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/categories?post=1655"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ehu.eus\/sgi\/wp-json\/wp\/v2\/tags?post=1655"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}