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Dear Paresh<br>
<br>
If your system presents 2 (meta)stable magnetic solutions the final scf solution usually depends on your initial starting magnetization. A good way to put in evidence the two Low and High spin configurations is to perform fix spin moment calculations. If two
solutions really exist the curve E(M) should present two local minima. The minimum-minimorum corresponds to the most stable solution. However this E(M) curve is usually very sensitive to external parameters..<br>
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Hope it Helps<br>
Cyrille<br>
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<div style="direction: ltr;" id="divRpF257194"><font color="#000000" face="Tahoma" size="2"><b>De :</b> pw_forum-bounces@pwscf.org [pw_forum-bounces@pwscf.org] de la part de paresh rout [paresh.rout88@gmail.com]<br>
<b>Date d'envoi :</b> samedi 30 novembre 2013 13:43<br>
<b>À :</b> PWSCF Forum<br>
<b>Objet :</b> [Pw_forum] High spin & Low spin Magnetic calculation set up<br>
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<div dir="ltr">Dear all,
<div> I am working on a magnetic compound I want to study its magnetic stability properties i.e whether this compound belongs to a High-Spin or a Low-Spin ground state .But I don't no how to set up a calculation for Low-spin as well as High-Spin magnetization.My
compound is Ferrimagnetic having two magnetic ions.</div>
<div> Any help will be highly appreciated . </div>
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<div>Kind Regards</div>
<div>Paresh Chandra Rout</div>
<div>Ph.d student</div>
<div>Indian Institute of Science Education and Research</div>
<div>Bhopal </div>
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