<div>Dear Eyvaz</div>
<div> </div>
<div>When I executed the lambda.x, it printed out the error messages.</div>
<div>I enter the " ./lambda.x < elph_8k_example"</div>
<div> </div>
<div>The content of elph_8k_example was</div>
<div>10 0.12 1<br> 8<br> 0.0000000 0.0000000 0.0000000 1.00<br> -0.2500000 -0.2500000 0.2500000 8.00<br> -0.5000000 -0.5000000 0.5000000 4.00<br> 0.0000000 0.0000000 0.5000000 6.00<br>
-0.2500000 -0.2500000 0.7500000 24.00<br> -0.5000000 -0.5000000 1.0000000 12.00<br> 0.0000000 0.0000000 1.0000000 3.00<br> -0.5000000 0.0000000 1.0000000 6.00<br>elph. 0.000000. 0.000000. 0.000000<br>
elph.-0.250000. 0.250000.-0.250000<br>elph. 0.500000.-0.500000. 0.500000<br>elph. 0.000000. 0.500000. 0.000000<br>elph. 0.750000.-0.250000. 0.750000<br>elph. 0.500000. 0.000000. 0.500000<br>elph. 0.000000.-1.000000. 0.000000<br>
elph.-0.500000.-1.000000. 0.000000<br>0.10<br></div>
<div> </div>
<div>forrtl: severe (64): input conversion error, unit 4, file /var/tmp/ntliu/espresso-4.0.5-md/examples/example07/results/elph. 0.000000. 0.000000. 0.000000</div>
<div> </div>
<div>I ran the example07 attached in quantum-espresso.</div>
<div>I used intel fortran10.1.018 compiler and intel MKL10.0.4.023 to compile quantum espresso.<br></div>
<div>Would you give me suggestion?</div>
<div> </div>
<div>Thank you<br></div>
<div>Joey, Liu</div>
<div> </div>
<div>IAMS, Acadamic Sinica</div>
<div>Research Assistant</div>
<div> </div>
<div class="gmail_quote">2009/5/13 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"><br>Dear Liu,<br>
<div class="im"><br>--- On Tue, 5/12/09, DdrSmiLe <<a href="mailto:ddrsmile@gmail.com">ddrsmile@gmail.com</a>> wrote:<br><br>> Would your code print out the T_c?<br>> If so, where would it be printed?<br><br>
</div>Without any doubts, if everything went properly. You can find T_c printed after lambda.x finished.<br>
<div class="im"><br>> My major is not chemistry or physics, but I'm doing job<br>> related to them. Therefore, there are too many things confuse me.<br>><br></div>Then yo should read some solid state textbooks (Kittel, Ashcroft-Mermin, Zaiman, Ricahrd Martin, Harrison, Kohanoff, Kantorovich, etc.)<br>
This will help you not to be confused.<br><br>Please provide your affiliation when post a question to this forum.<br><br>Bests,<br>Eyvaz.<br>
<div>
<div></div>
<div class="h5"><br><br>> Joey, Liu<br>><br>> 2009/5/7 Eyvaz Isaev <<a href="mailto:eyvaz_isaev@yahoo.com">eyvaz_isaev@yahoo.com</a>><br>><br>> > Hi,<br>> ><br>> > Sorry for empty mail, unexpectedly I clicked on Send<br>
> button.<br>> ><br>> > Well, I think attached files are what you need. The<br>> first one (modified<br>> > elphon.f90) writes special files, and the second one<br>> uses these files to<br>> > find lambda and then T_c via the Allen-Dynes equation<br>
> (\omega_log instead of<br>> > the Debye temperature).<br>> ><br>> > In fact, recently I suggested to change original<br>> elphon.f90 and lambda.f90<br>> > files with those (at least, include changes), but I do<br>
> not know whether this<br>> > 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>
> > Eyvaz.<br>> ><br>> ><br>> -------------------------------------------------------------------<br>> > Prof. Eyvaz Isaev,<br>> > Theoretical Physics Department, Moscow State Institute<br>
> of Steel & Alloys,<br>> > Russia,<br>> > Department of Physics, Chemistry, and Biology (IFM),<br>> Linkoping University,<br>> > Sweden<br>> > Condensed Matter Theory Group, Uppsala University,<br>
> 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>,<br>> <a href="mailto:eyvaz_isaev@yahoo.com">eyvaz_isaev@yahoo.com</a><br>
> ><br>> ><br>> > --- On Wed, 5/6/09, David Tompsett<br>> <<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<br>> 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>> > > 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<br>> apply the<br>> > > McMillan<br>
> > > formula for the prediction of the superconducting<br>> Tc.<br>> > ><br>> > > In the basic tutorials list, /Hands-on Tutorial<br>> of Quantum<br>> > > Espresso<br>> > ><br>
</div></div>> <<a href="http://www.fisica.uniud.it/~giannozz/QE-Tutorial/" target="_blank">http://www.fisica.uniud.it/%7Egiannozz/QE-Tutorial/</a><<a href="http://www.fisica.uniud.it/~giannozz/QE-Tutorial/" target="_blank">http://www.fisica.uniud.it/~giannozz/QE-Tutorial/</a>><br>
<div>
<div></div>
<div class="h5">> > >,/<br>> > > I could find<br>> > > examples on the El-ph calculation for Aluminium<br>> at X. Is<br>> > > there any<br>> > > further documentation available to indicated on<br>
> how to find<br>> > > the<br>> > > integrated lambda and wlog that enter the<br>> 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>> > ><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>> ><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>> _______________________________________________<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>
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</div></div></blockquote></div><br>