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<DIV><FONT face=Verdana color=#000080 size=2></FONT> </DIV>
<DIV><FONT face=Verdana color=#000080 size=2>Dear Prof. Isaev and
all,</FONT></DIV>
<DIV><FONT color=#000080>Thanks for reply. Do you konw any software packages
that can deal with this kind of issue?</FONT></DIV>
<DIV><FONT color=#000080></FONT> </DIV>
<DIV><FONT face=Verdana color=#000080 size=2></FONT> </DIV>
<DIV><FONT face=Verdana color=#c0c0c0 size=2>2008-11-25 </FONT></DIV><FONT
face=Verdana color=#000080 size=2>
<HR style="WIDTH: 100px" align=left color=#b5c4df SIZE=1>
</FONT>
<DIV><FONT face=Verdana color=#c0c0c0 size=2><SPAN id=_FoxFROMNAME>
<DIV>
<DIV><U><FONT color=#0000ff>Best regards,<BR>Jun Dai</FONT></U></DIV>
<DIV> </DIV>
<DIV><U><FONT
color=#0000ff>=============================================================<BR> Jun
Dai<BR> Ph.D. Candidate,<BR> Hefei National Laboratory For Physical
Sciences at the Microscale,<BR> University of Science and Technology of
China,<BR> Hefei, Anhui, 230026,<BR> People's Republic of
China<BR>=============================================================
</FONT></U><A
href="mailto:jdai3@mail.ustc.edu.cn"></A></DIV></DIV></SPAN></FONT></DIV>
<HR color=#b5c4df SIZE=1>
<DIV><FONT face=Verdana size=2><STRONG>发件人：</STRONG> Eyvaz Isaev </FONT></DIV>
<DIV><FONT face=Verdana size=2><STRONG>发送时间：</STRONG> 2008-11-25 20:33:59
</FONT></DIV>
<DIV><FONT face=Verdana size=2><STRONG>收件人：</STRONG> PWSCF Forum </FONT></DIV>
<DIV><FONT face=Verdana size=2><STRONG>抄送：</STRONG> </FONT></DIV>
<DIV><FONT face=Verdana size=2><STRONG>主题：</STRONG> Re: [Pw_forum] About el-ph
coupling </FONT></DIV>
<DIV><FONT face=Verdana size=2></FONT> </DIV>
<DIV><FONT face=Verdana size=2>
<DIV>Hi,</DIV>
<DIV></DIV>
<DIV>--- On Tue, 11/25/08, Dai <jdai3@mail.ustc.edu.cn> wrote:</DIV>
<DIV></DIV>
<DIV>> More simply, if I perform a</DIV>
<DIV>> phonon calculation using FM and AFM configurations, will</DIV>
<DIV>> there be any difference in the phonon spectrum and the</DIV>
<DIV>> coupling constant?</DIV>
<DIV></DIV>
<DIV>from phq_readin:</DIV>
<DIV></DIV>
<DIV>IF (elph.AND.lsda) CALL errore ('phq_readin', 'El-ph and spin not implemented', 1)</DIV>
<DIV></DIV>
<DIV>At least, for QE_4.0 and earlier versions.</DIV>
<DIV></DIV>
<DIV>As concerns an influence of different magnetic ordering (FM and AFM), yes, you can see the difference in the phonon spectrum. Of course, in this case you should use the same structure for both FM and AFM calculations, but introducing AFM ordering you reduce the symmetry. </DIV>
<DIV> </DIV>
<DIV>Bests,</DIV>
<DIV>Eyvaz.</DIV>
<DIV></DIV>
<DIV>-------------------------------------------------------------------</DIV>
<DIV>Prof. Eyvaz Isaev, </DIV>
<DIV>Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, </DIV>
<DIV>Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden </DIV>
<DIV>Condensed Matter Theory Group, Uppsala University, Sweden </DIV>
<DIV>Eyvaz.Isaev@fysik.uu.se, isaev@ifm.liu.se, eyvaz_isaev@yahoo.com</DIV>
<DIV> </DIV>
<DIV></DIV>
<DIV></DIV>
<DIV> </DIV>
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