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</o:shapelayout></xml><![endif]--></head><body lang=EN-US link=blue vlink=purple><div class=WordSection1><p class=MsoNormal><span style='font-family:"Calibri","sans-serif";color:#1F497D'>Eyvaz, thanks for getting back so fast.<o:p></o:p></span></p><p class=MsoNormal><span style='font-family:"Calibri","sans-serif";color:#1F497D'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-family:"Calibri","sans-serif";color:#1F497D'>My bad (mea culpa). I thought I had inserted the “new Fortran code” you sent me a few months ago, but on replacement and “make,” I must have screwed up something...I’ll check.<o:p></o:p></span></p><p class=MsoNormal><span style='font-family:"Calibri","sans-serif";color:#1F497D'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-family:"Calibri","sans-serif";color:#1F497D'>In the meantime, you state the new matdyn.x “replaces all the old stuff, e.g. lambda.x” used in example07. Is there an “updated example07” that illustrates the new methodology? I follow the path illustrated in example07 a fair amount in my attempts to simulate electron-phonon mediated Eliashberg-McMillan pairing. <o:p></o:p></span></p><p class=MsoNormal><span style='font-family:"Calibri","sans-serif";color:#1F497D'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-family:"Calibri","sans-serif";color:#1F497D'>Last September you sent me a tar-file with the f90 code for elphon, lambda, matdyn, phcom and qr2 along with matdyn.in.dos and qr2.in. I take it all are required to “fix” example07? Or just matdyn? I see the two text input files must be “plugged into” run_example because of the new nsig flag. Anyway, I’ll see if I can get the “old” example07 to work.<o:p></o:p></span></p><p class=MsoNormal><span style='font-family:"Calibri","sans-serif";color:#1F497D'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-family:"Calibri","sans-serif";color:#1F497D'>BTW, I’ve observed one can have gfortran compiler issues with example07...go to </span><a href="http://www.democritos.it/pipermail/pw_forum/2010-March/016356.html">http://www.democritos.it/pipermail/pw_forum/2010-March/016356.html</a><span style='font-family:"Calibri","sans-serif";color:#1F497D'><o:p></o:p></span></p><p class=MsoNormal><span style='font-family:"Calibri","sans-serif";color:#1F497D'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-family:"Calibri","sans-serif";color:#1F497D'>I note phq_readin still contains the error message 'The phonon code with LDA+U is not yet available.' Any idea when it might be available? I would be a very willing beta tester.<o:p></o:p></span></p><p class=MsoNormal><span style='font-family:"Calibri","sans-serif";color:#1F497D'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-family:"Calibri","sans-serif";color:#1F497D'>BTW (again), I’m having occasional iotk problems running the PH code on both 4.0 and 4.2.1...see my original forum posting at </span><a href="http://www.democritos.it/pipermail/pw_forum/2010-March/016356.html">http://www.democritos.it/pipermail/pw_forum/2010-March/016356.html</a> and Paolo’s reply <a href="http://www.democritos.it/pipermail/pw_forum/2010-December/018852.html">http://www.democritos.it/pipermail/pw_forum/2010-December/018852.html</a><span style='font-family:"Calibri","sans-serif";color:#1F497D'><o:p></o:p></span></p><p class=MsoNormal><span style='font-family:"Calibri","sans-serif";color:#1F497D'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-family:"Calibri","sans-serif";color:#1F497D'>On the other hand, backing off to 3.2.3 always works! :-)<o:p></o:p></span></p><p class=MsoNormal><span style='font-family:"Calibri","sans-serif";color:#1F497D'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-family:"Calibri","sans-serif";color:#1F497D'>Regards, -Paul<o:p></o:p></span></p><p class=MsoNormal><span style='font-family:"Calibri","sans-serif";color:#1F497D'>http://www.w2agz.com<o:p></o:p></span></p><p class=MsoNormal><span style='font-family:"Calibri","sans-serif";color:#1F497D'>w2agz@w2agz.com<o:p></o:p></span></p><p class=MsoNormal><span style='font-family:"Calibri","sans-serif";color:#1F497D'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-family:"Calibri","sans-serif";color:#1F497D'><o:p> </o:p></span></p><div><div style='border:none;border-top:solid #B5C4DF 1.0pt;padding:3.0pt 0in 0in 0in'><p class=MsoNormal><b><span style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'>From:</span></b><span style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'> pw_forum-bounces@pwscf.org [mailto:pw_forum-bounces@pwscf.org] <b>On Behalf Of </b>Eyvaz Isaev<br><b>Sent:</b> Saturday, December 11, 2010 5:33 AM<br><b>To:</b> PWSCF Forum<br><b>Subject:</b> Re: [Pw_forum] example07...again<o:p></o:p></span></p></div></div><p class=MsoNormal><o:p> </o:p></p><div><p class=MsoNormal style='margin-bottom:12.0pt'>Dear Paul,<o:p></o:p></p><div><p class=MsoNormal>May I suppose, you used an old version of lambda.f90, as I can see from the last edition of lambda.f90 a line with "(5x,'Gaussian Broadening: ',f7.3,' Ry, ngauss=',i4)" is commented. <br><br>Besides, as already it was pointed out by Paolo, lambda.f90 somewhat obsolete, but will be supported, I guess. Now lambda can be calculated by means of matdyn.x. <br><br>Bests,<br>Eyvaz<o:p></o:p></p></div><div><p class=MsoNormal><o:p> </o:p></p></div><div><p class=MsoNormal><o:p> </o:p></p><div><div class=MsoNormal align=center style='text-align:center'><span style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'><hr size=1 width="100%" align=center></span></div><p class=MsoNormal><b><span style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'>From:</span></b><span style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'> W2AGZ <w2agz@w2agz.com><br><b>To:</b> pw_forum@pwscf.org<br><b>Sent:</b> Sat, December 11, 2010 7:38:53 AM<br><b>Subject:</b> [Pw_forum] example07...again<br></span><br><br><span style='font-size:12.0pt;font-family:"Times New Roman","serif"'><o:p></o:p></span></p><div><p class=MsoNormal>Eyvaz, I still get gfortran errors in QE-4.2.1 after “re-making” the changes you sent last August. See below:<o:p></o:p></p><p class=MsoNormal> <o:p></o:p></p><p class=MsoNormal>running pw.x as: /home/pmpgrant/espresso-4.2.1/bin/pw.x <o:p></o:p></p><p class=MsoNormal> running ph.x as: /home/pmpgrant/espresso-4.2.1/bin/ph.x <o:p></o:p></p><p class=MsoNormal> running q2r.x as: /home/pmpgrant/espresso-4.2.1/bin/q2r.x <o:p></o:p></p><p class=MsoNormal> running matdyn.x as: /home/pmpgrant/espresso-4.2.1/bin/matdyn.x <o:p></o:p></p><p class=MsoNormal> running lambda.x as: /home/pmpgrant/espresso-4.2.1/bin/lambda.x <o:p></o:p></p><p class=MsoNormal> <o:p></o:p></p><p class=MsoNormal> cleaning /home/pmpgrant/tmp... done<o:p></o:p></p><p class=MsoNormal> running the scf calculation with dense k-point grid... done<o:p></o:p></p><p class=MsoNormal> running the scf calculation... done<o:p></o:p></p><p class=MsoNormal> running the el-ph calculation... done<o:p></o:p></p><p class=MsoNormal> running q2r... done<o:p></o:p></p><p class=MsoNormal> running matdyn for frequency calculation... done <o:p></o:p></p><p class=MsoNormal> running matdyn for a2F(omega) calculation... done<o:p></o:p></p><p class=MsoNormal> running lambda.x for lambda calculation...At line 98 of file lambda.f90 (unit = 4, file = 'elph. 0.000000. 0.000000. 0.000000')<o:p></o:p></p><p class=MsoNormal>Fortran runtime error: Constant string in input format<o:p></o:p></p><p class=MsoNormal>(5x,'Gaussian Broadening: ',f7.3,' Ry, ngauss=',i4)<o:p></o:p></p><p class=MsoNormal> ^<o:p></o:p></p><p class=MsoNormal>Error condition encountered during test: exit status = 2<o:p></o:p></p><p class=MsoNormal>Aborting<o:p></o:p></p><p class=MsoNormal> <o:p></o:p></p><p class=MsoNormal>-Paul<o:p></o:p></p></div></div></div></div><p class=MsoNormal><span style='font-size:12.0pt;font-family:"Times New Roman","serif"'><o:p> </o:p></span></p></div></body></html>