From owner-nwchem-users@emsl.pnl.gov Wed Jun 18 05:10:17 2008 Received: from odyssey.emsl.pnl.gov (localhost.pnl.gov [127.0.0.1]) by odyssey.emsl.pnl.gov (8.14.1/8.14.1) with ESMTP id m5ICAGCl004590 for ; Wed, 18 Jun 2008 05:10:17 -0700 (PDT) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.14.1/8.14.1/Submit) id m5ICAGEk004589 for nwchem-users-outgoing-0915; Wed, 18 Jun 2008 05:10:16 -0700 (PDT) X-Authentication-Warning: odyssey.emsl.pnl.gov: majordom set sender to owner-nwchem-users@emsl.pnl.gov using -f X-Ironport-SG: No_SBRS X-Ironport-SBRS: None X-IronPort-Anti-Spam-Filtered: true X-IronPort-Anti-Spam-Result: ApoEACWYWEjBru50/2dsb2JhbACwKg X-IronPort-AV: E=Sophos;i="4.27,664,1204531200"; d="scan'208";a="78178291" X-Spam-Checker-Version: SpamAssassin 3.2.3 (2007-08-08) on spamd X-Spam-Level: X-Spam-Status: No, score=-4.2 required=8.0 tests=ALL_TRUSTED,AWL,BAYES_00 autolearn=ham version=3.2.3 Date: Wed, 18 Jun 2008 14:09:24 +0200 (CEST) From: Ali Sebetci To: Subject: [NWCHEM] SODFT and Kramers restriction Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII X-Virus-Scanned: ClamAV version 0.93, clamav-milter version 0.93 on spamd.ifw-dresden.de X-Virus-Status: Clean Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Is the Spin-Orbit DFT in NWChem a Kramers-restricted approach or an unrestricted approach? Ali