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Hi,<br><br>a recent one.<br><br><br>http://prb.aps.org/abstract/PRB/v77/i11/e115139<br><br><br>Ali<br><br><div><div id="SkyDrivePlaceholder"></div><hr id="stopSpelling">Date: Wed, 13 Feb 2013 21:44:40 +0330<br>From: mpayami@aeoi.org.ir<br>To: pw_forum@pwscf.org<br>Subject: Re: [Pw_forum] Madelung Energy<br><br>
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<div>Dear Yavar,</div>
<div><br>
Please take a look at the article by Lento et al, J. Phys. Condens. Matter
14, 2637 (2002), and go into the Makov-Payne.f90 routine inside the PW
folder and examine it.</div>
<div>Ciao,</div>
<div>M. P.</div>
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<div>--------------------------------<br>
Mahmoud Payami</div>
<div>AEOI, Tehran-Iran<br>
Email: <a href="mailto:mpayami@aeoi.org.ir">mpayami@aeoi.org.ir</a></div>
<div>Phone: +98 (0) 21 82064393</div>
<div>Fax: +98 (0) 21 88221105<br>
---------------------------------------------</div>
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<blockquote style="padding-right:0px;padding-left:5px;border-left-color:rgb(0, 0, 0);border-left-width:2px;border-left-style:solid"> -----Original Message-----<br>
From: "Yavar Taghipour Azar" <ytaghipour@aeoi.org.ir><br>
To: "Pw_forum@pwscf.org" <Pw_forum@pwscf.org><br>
Date: Tue, 12 Feb 2013 20:23:07 +0330<br>
Subject: [Pw_forum] Madelung Energy<br>
<br>
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<div>Dear QE users</div>
<div> </div>
<div>I would like to obtain the Madelung energy of an ion embeded in a
uniformly compensating charged unit cell.</div>
<div> </div>
<div>How can I read it from the output of a pw.x run?<br>
</div>
<div>Thanks in advance.</div>
<div> </div>
<div>Yavar Taghipour Azar</div>
<div> </div>
<div>PhD students, Physics Group, AEOI</div>
</blockquote>
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