From owner-nwchem-users@emsl.pnl.gov Wed Nov 14 09:50:39 2007 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.14.1/8.14.1) with ESMTP id lAEHocNk020215 for ; Wed, 14 Nov 2007 09:50:39 -0800 (PST) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.14.1/8.14.1/Submit) id lAEHocTa020214 for nwchem-users-outgoing-0915; Wed, 14 Nov 2007 09:50:38 -0800 (PST) X-Authentication-Warning: odyssey.emsl.pnl.gov: majordom set sender to owner-nwchem-users@emsl.pnl.gov using -f X-IronPort-AV: E=Sophos;i="4.21,417,1188802800"; d="scan'208";a="37464081" X-MimeOLE: Produced By Microsoft Exchange V6.5 Content-class: urn:content-classes:message MIME-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Content-Transfer-Encoding: quoted-printable Subject: RE: [NWCHEM] noncollinear magnetic moments Date: Wed, 14 Nov 2007 09:50:34 -0800 Message-ID: <3C9D549F0263E24D92C4F9FA2933260F01EAE1F2@EMAIL01.pnl.gov> In-Reply-To: X-MS-Has-Attach: X-MS-TNEF-Correlator: Thread-Topic: [NWCHEM] noncollinear magnetic moments Thread-Index: AcgmkkCwwGZEf+rLQ9+vBa2hTb4EgQAU/uwQ References: <473A226D.6080203@lanl.gov> From: "Govind, Niri" To: "Ali Sebetci" , X-OriginalArrivalTime: 14 Nov 2007 17:50:36.0120 (UTC) FILETIME=[DC58CD80:01C826E6] Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Hi Ali, Non-collinear calculations are not available in NWChem at the moment. This is in our plans for the near future. Regards, -Niri -----Original Message----- From: owner-nwchem-users@emsl.pnl.gov [mailto:owner-nwchem-users@emsl.pnl.gov] On Behalf Of Ali Sebetci Sent: Tuesday, November 13, 2007 11:12 PM To: nwchem-users@emsl.pnl.gov Subject: [NWCHEM] noncollinear magnetic moments Hi, I would like to perform some noncollinear magnetic moment calculations. Is there a possibility to do this with NWChem now or at the near future? Regards, Ali Sebetci