From owner-chemistry@ccl.net Tue Oct 10 11:26:01 2017
From: "Sergio Manzetti sergio.manzetti..fjordforsk.no" <owner-chemistry()server.ccl.net>
To: CCL
Subject: CCL: Calculation of ferromagnetic moment in clusters
Message-Id: <-53036-171010054527-4042-qa18l2BMt4HOFoYH60d1mw()server.ccl.net>
X-Original-From: "Sergio  Manzetti" <sergio.manzetti!^!fjordforsk.no>
Date: Tue, 10 Oct 2017 05:45:23 -0400


Sent to CCL by: "Sergio  Manzetti" [sergio.manzetti*|*fjordforsk.no]
Hello, I was wondering if anyone has a suggestion on how to calculate the ferromagnetic moment in QM calculations? Program for QM is preferably ORCA.

Thanks!


From owner-chemistry@ccl.net Tue Oct 10 21:47:00 2017
From: "Jim Kress jimkress35::gmail.com" <owner-chemistry.:.server.ccl.net>
To: CCL
Subject: CCL: Calculation of ferromagnetic moment in clusters
Message-Id: <-53037-171010214436-16820-H1tba12xB18udf9pu/ERwA.:.server.ccl.net>
X-Original-From: "Jim Kress" <jimkress35^^^gmail.com>
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Date: Tue, 10 Oct 2017 21:44:16 -0400
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Sent to CCL by: "Jim Kress" [jimkress35/./gmail.com]
Did you ask at the Orca forum?

https://orcaforum.cec.mpg.de/portal.php

Jim

-----Original Message-----
> From: owner-chemistry+jimkress35==gmail.com||ccl.net
[mailto:owner-chemistry+jimkress35==gmail.com||ccl.net] On Behalf Of Sergio
Manzetti sergio.manzetti..fjordforsk.no
Sent: Tuesday, October 10, 2017 5:45 AM
To: Kress, Jim  <jimkress35||gmail.com>
Subject: CCL: Calculation of ferromagnetic moment in clusters


Sent to CCL by: "Sergio  Manzetti" [sergio.manzetti*|*fjordforsk.no] Hello,
I was wondering if anyone has a suggestion on how to calculate the
ferromagnetic moment in QM calculations? Program for QM is preferably ORCA.

Thanks!http://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt