<div>Dear Gerhard & T<span id="_user_Thomas.Mazet@lcsm.uhp-nancy.fr">homas</span>,</div>
<div> and wien2k users</div>
<div>Thanks again for your reply, </div>
<div> I know that Mtot/atom for Gd on 0K is decreased . For this phenomena justify, I assume that valence electron accede to magnetic ions with converse spin but with this deem! I couldn't take a right answer !!</div>
<div> and Can I calculated canted spin with wien2k ? </div>
<div> </div>
<div>Regard, </div>
<div> <font color="#999999">osaty<br></font><br> </div>
<div><span class="gmail_quote">On 12/9/05, <b class="gmail_sendername">thomas.mazet</b> <<a href="mailto:Thomas.Mazet@lcsm.uhp-nancy.fr">Thomas.Mazet@lcsm.uhp-nancy.fr</a>> wrote:</span>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid"><br>Dear Reza Osaty,<br><br>In the paper below, the authors are dealing with Gd13 clusters and NOT<br>with Gd metal. Furthermore, although I did not yet fully read this paper,
<br>it seems that the ground state of Gd13 clusters is some kind of canted<br>ferromagnet due to competing F and AF RKKY interactions.<br><br>Reagrds,<br><br>Thomas Mazet<br><br><br><br><br>> Dear thomas.mazet<br><br>
Thank for your reply but you can see this paper :<br>*D. P. Pappas, A. P. Popov,* A. N. Anisimov,* B. V. Reddy, and S. N.<br>Khanna *in PHY S I CAL REV I EW LETTERS VOLUME 76, NUMBER 23<br><br>Regard ,<br><br><br><br><br>
<br>On 12/8/05, thomas.mazet <<a href="mailto:Thomas.Mazet@lcsm.uhp-nancy.fr">Thomas.Mazet@lcsm.uhp-nancy.fr</a>> wrote:<br>><br>><br>><br>> Who claims that the ground state of Gd is antiferromagnetic ?<br>
><br>> Thomas<br>><br>><br>> > Dear wien2k users ;<br>><br>> I want to run antiferro calculation on Gd .Because someone reported the<br>> ground state of Gd is antiferro. After Running antiferro calculation i
<br>> attain this results :<br>><br>> *EnE: -45111*<br>> * Mtot/atom : 0.735*<br>><br>> But after S.P calculation i found :<br>><br>> *EnE: -40956*<br>> * Mtot /atom : 7.5*<br>><br>> The case.inst
is in attachment . I think for Gd we can't change the<br>> orientation of 4f-electron because it need to high energy so i flip only<br>> valence electron but yet Mtot/atom is very smaller than experimental<br>> result !!!
<br>><br>> Am I right ? Please guide me !<br>><br>> Regard ,<br>><br>><br>><br><br><br>--<br>Thomas MAZET<br>Laboratoire de Chimie du Solide Minéral (UMR 7555)<br>Université Henri Poincaré-Nancy I<br>
BP 239 54506 Vandoeuvre les Nancy Cedex<br>FRANCE<br>Tel.: +33-(0)3-83-68-46-77<br>Fax : +33-(0)3-83-68-46-11<br><br><br></blockquote></div><br>