<div>Hi Eyvaz lsaev</div>
<div>I've tried your files. Thank you for your sharing.</div>
<div>I have some question as following.</div>
<div>Would your code print out the T_c?</div>
<div>If so, where would it be printed?</div>
<div>if not, what's the extra procedure?</div>
<div>Sorry for asking such basic questions.</div>
<div>My major is not chemistry or physics, but I'm doing job related to them</div>
<div>Therefore, there are too many things confuse me.</div>
<div> </div>
<div>Thank you for your helping<br><br>Joey, Liu</div>
<div> </div>
<div class="gmail_quote">2009/5/7 Eyvaz Isaev <span dir="ltr"><<a href="mailto:eyvaz_isaev@yahoo.com">eyvaz_isaev@yahoo.com</a>></span><br>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">Hi,<br><br>Sorry for empty mail, unexpectedly I clicked on Send button.<br><br>Well, I think attached files are what you need. The first one (modified elphon.f90) writes special files, and the second one uses these files to find lambda and then T_c via the Allen-Dynes equation (\omega_log instead of the Debye temperature).<br>
<br>In fact, recently I suggested to change original elphon.f90 and lambda.f90 files with those (at least, include changes), but I do not know whether this suggestion was accepted by developers.<br>Attached elphon.f90 worked for QE 4.0.4, at least.<br>
<br>Any questions, please contact me.<br><br>Bests,<br><font color="#888888">Eyvaz.<br></font>
<div class="im"><br>-------------------------------------------------------------------<br>Prof. Eyvaz Isaev,<br>Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia,<br>Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden<br>
Condensed Matter Theory Group, Uppsala University, Sweden<br><a href="mailto:Eyvaz.Isaev@fysik.uu.se">Eyvaz.Isaev@fysik.uu.se</a>, <a href="mailto:isaev@ifm.liu.se">isaev@ifm.liu.se</a>, <a href="mailto:eyvaz_isaev@yahoo.com">eyvaz_isaev@yahoo.com</a><br>
<br><br>--- On Wed, 5/6/09, David Tompsett <<a href="mailto:dat36@cam.ac.uk">dat36@cam.ac.uk</a>> wrote:<br><br>> From: David Tompsett <<a href="mailto:dat36@cam.ac.uk">dat36@cam.ac.uk</a>><br>> Subject: [Pw_forum] Documentation on El-Ph coupling<br>
> To: <a href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</a><br>> Date: Wednesday, May 6, 2009, 4:30 PM<br></div>
<div>
<div></div>
<div class="h5">> Dear All,<br>> I am interested in calculating the<br>> electron-phonon coupling<br>> of a metallic system in QE. I would like to then apply the<br>> McMillan<br>> formula for the prediction of the superconducting Tc.<br>
><br>> In the basic tutorials list, /Hands-on Tutorial of Quantum<br>> Espresso<br>> <<a href="http://www.fisica.uniud.it/~giannozz/QE-Tutorial/" target="_blank">http://www.fisica.uniud.it/%7Egiannozz/QE-Tutorial/</a>>,/<br>
> I could find<br>> examples on the El-ph calculation for Aluminium at X. Is<br>> there any<br>> further documentation available to indicated on how to find<br>> the<br>> integrated lambda and wlog that enter the McMillan formula<br>
> for Tc?<br>><br>> Thank you,<br>> David.<br>><br>> --<br>> David A. Tompsett<br>> Quantum Matter Group<br>> Cavendish Laboratory<br>> J. J. Thomson Avenue<br>> Cambridge CB3 0HE<br>> U.K.<br>
> Tel: +44 7907 566351 (mobile)<br>> Fax: +44 1223 768140<br>> <a href="http://www-qm.phy.cam.ac.uk/" target="_blank">http://www-qm.phy.cam.ac.uk/</a><br>><br>> _______________________________________________<br>
> Pw_forum mailing list<br>> <a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>> <a href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a><br>
<br><br> </div></div><br>_______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br><a href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a><br>
<br></blockquote></div><br>