<!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN" "http://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd">
<html xmlns="http://www.w3.org/1999/xhtml">
<head>
<meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
<title></title>
</head>
<style type="text/css">
<!--
#send_mail {
font-family: "Courier New";
background:#FFFFFF;
color:#000000;
}
#send_mail a {
color:#999999
}
#send_mail a:hover {
color:#0000FF
}
#send_mail div {
color:#000000;
font-family: "Courier New";
font-size:14px;
line-height:150%;
}
#send_mail .usersign {
line-height:100%;
}
-->
</style>
<body id="send_mail">
<div>Dear A.S.Santos:
<BR>
First, please attach your affiliation at the bottom of your letter, because it is a nettiquette;
<BR>
Second, please give more detailed information/data on your work if you want anyone to answer your question;
<BR>
Third, please do not send FOUR letters on the same title at one time! Just one is enough.
<BR>
Best Wishes!
<BR>
Yours Sincerely
<BR>
<BR>
</FONT><FONT color=#444444>> From: ?lvaro Alves
<BR>
</FONT><FONT color=#444444>> Subject: [Pw_forum] magnetic coupling
<BR>
</FONT><FONT color=#444444>> To: pw
<BR>
</FONT><FONT color=#444444>> Message-ID:
<BR>
</FONT><FONT color=#444444>> Content-Type: text/plain; charset="iso-8859-1"
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> Hello everyone. I'm trying to calculate the magnetic coupling in a dinuclear compound of copper. Compared with the experimental results, we find that the magnitude of the magnetic moments are not good. What can I try to change parameters to get a better result?
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> Regards,
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> A. S. Santos
<BR>
</FONT><FONT color=#444444>> Subject: [Pw_forum] magnetic coupling
<BR>
</FONT><FONT color=#444444>> To: <A href=mailto:pw_forum@pwscf.org>pw_forum@pwscf.org</A>
<BR>
</FONT><FONT color=#444444>> Message-ID:
<BR>
</FONT><FONT color=#444444>> Content-Type: text/plain; charset="iso-8859-1"
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> ? Hello everyone. I'm trying to calculate the magnetic coupling in a
<BR>
</FONT><FONT color=#444444>> dinuclear compound of copper. Compared with the experimental results,
<BR>
</FONT><FONT color=#444444>> we find that the magnitude of the magnetic moments are not good. What
<BR>
</FONT><FONT color=#444444>> can I try to change parameters to get a better result?
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> Regards,
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> A. S. Santos
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> __________________________________________________
<BR>
</FONT><FONT color=#444444>> Fale com seus amigos de gra?a com o novo Yahoo! Messenger
<BR>
</FONT><FONT color=#444444>> <A href=http://br.messenger.yahoo.com/ target=_blank>http://br.messenger.yahoo.com/</A</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> -------------- next part --------------
<BR>
</FONT><FONT color=#444444>> An HTML attachment was scrubbed...
<BR>
</FONT><FONT color=#444444>> URL: <A href=http://www.democritos.it/pipermail/pw_forum/attachments/20090819/840b07ef/attachment-0001.htm target=_blank>http://www.democritos.it/pipermail/pw_forum/attachments/20090819/840b07ef/attachment-0001.htm</A</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> Subject: [Pw_forum] magnetic coupling
<BR>
</FONT><FONT color=#444444>> To: pw
<BR>
</FONT><FONT color=#444444>> Message-ID:
<BR>
</FONT><FONT color=#444444>> Content-Type: text/plain; charset="iso-8859-1"
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> Hello everyone. I'm trying to calculate the magnetic coupling in a
<BR>
</FONT><FONT color=#444444>> dinuclear compound of copper. Compared with the experimental results,
<BR>
</FONT><FONT color=#444444>> we find that the magnitude of the magnetic moments are not good. What
<BR>
</FONT><FONT color=#444444>> can I try to change parameters to get a better result?
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> Regards,
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> A. S. Alves
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> Subject: [Pw_forum] magnetic coupling
<BR>
</FONT><FONT color=#444444>> To: pw
<BR>
</FONT><FONT color=#444444>> Message-ID:
<BR>
</FONT><FONT color=#444444>> Content-Type: text/plain; charset="iso-8859-1"
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> Hello everyone. I'm trying to calculate the magnetic coupling in a
<BR>
</FONT><FONT color=#444444>> dinuclear compound of copper. Compared with the experimental results,
<BR>
</FONT><FONT color=#444444>> we find that the magnitude of the magnetic moments are not good. What
<BR>
</FONT><FONT color=#444444>> can I try to change parameters to get a better result?
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> Regards,
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> A. S. Alves
<BR>
</FONT><FONT color=#444444>>
<BR>
------
<BR>
======================================================================
<BR>
L.F.Huang(黄良锋) ph.D candidate
<BR>
======================================================================
<BR>
Add: Research Laboratory for Computational Materials Sciences,
<BR>
Instutue of Solid State Physics,the Chinese Academy of Sciences,
<BR>
P.O.Box 1129, Hefei 230031, P.R.China
<BR>
Tel: 86-551-5591464-328(office)
<BR>
Fax: 86-551-5591434
<BR>
Web: <A href=http://theory.issp.ac.cn target=_blank>http://theory.issp.ac.cn</A</FONT><FONT color=#444444>> (website of our theory group)
<BR>
<A href=http://www.issp.ac.cn target=_blank>http://www.issp.ac.cn</A</FONT><FONT color=#444444>> (website of our institute)
<BR>
======================================================================
<BR>
</div>
</body>
</html>