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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-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D'>Thanks, Eyvaz. Gimme a few days to look at the code for the new matdyn source. I may want to redo some of my old CuO calculations. -Paul<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:11.0pt;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> Monday, August 30, 2010 10:47 AM<br><b>To:</b> PWSCF Forum<br><b>Subject:</b> Re: [Pw_forum] Example07<o:p></o:p></span></p></div></div><p class=MsoNormal><o:p> </o:p></p><div><div><p class=MsoNormal>Hi Paul,<br><br>Enclosed file contains lambda.f90, as well as matdyn.f90 etc. files. In fact, matdyn now contains <br>all ingredients to calculate lambda and T_c. In this sense lambda.f90 is now obsolete, nevertheless, you can use it.<br><br>This files were used within QE 4.2. Any problem, please contact me.<br><br>Bests,<br>Eyvaz. <o:p></o:p></p><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 style='margin-bottom:12.0pt'><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@pacbell.net><br><b>To:</b> PWSCF Forum <pw_forum@pwscf.org><br><b>Sent:</b> Mon, August 30, 2010 3:30:16 AM<br><b>Subject:</b> Re: [Pw_forum] Example07</span><o:p></o:p></p><div><p class=MsoNormal><span style='font-family:"Calibri","sans-serif"'>Eyvaz, thanks for getting back. Good to hear from you again. -Paul</span><o:p></o:p></p></div><div><div><p class=MsoNormal><span style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'><o:p> </o:p></span></p></div><div><div><p class=MsoNormal style='background:whitesmoke'><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"'> <a href="mailto:eyvaz_isaev@yahoo.com" target="_blank" title="mailto:eyvaz_isaev@yahoo.com
CTRL + Click to follow link">Eyvaz Isaev</a> <o:p></o:p></span></p></div><div><p class=MsoNormal style='background:whitesmoke'><b><span style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'>Sent:</span></b><span style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'> Sunday, August 29, 2010 3:36 PM<o:p></o:p></span></p></div><div><p class=MsoNormal style='background:whitesmoke'><b><span style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'>To:</span></b><span style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'> <a href="mailto:pw_forum@pwscf.org" target="_blank" title="mailto:pw_forum@pwscf.org
CTRL + Click to follow link">PWSCF Forum</a> <o:p></o:p></span></p></div><div><p class=MsoNormal style='background:whitesmoke'><b><span style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'>Subject:</span></b><span style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'> Re: [Pw_forum] Example07<o:p></o:p></span></p></div></div></div><div><p class=MsoNormal><o:p> </o:p></p></div><div><p class=MsoNormal>Hi Paul,<br><br>No, this is a (g)fortran issue. I will fix it asap.<br><br>Eyvaz.<o:p></o:p></p><div><p class=MsoNormal> <o:p></o:p></p></div><p class=MsoNormal>-------------------------------------------------------------------<br>Prof. Eyvaz Isaev, <br>Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden <br>Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, <br><a href="mailto:isaev@ifm.liu.se" target="_blank">isaev@ifm.liu.se</a>, <a href="mailto:eyvaz_isaev@yahoo.com" target="_blank">eyvaz_isaev@yahoo.com</a> <o:p></o:p></p><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 style='margin-bottom:12.0pt'><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@pacbell.net><br><b>To:</b> pw_forum@pwscf.org<br><b>Sent:</b> Sun, August 29, 2010 11:48:45 PM<br><b>Subject:</b> [Pw_forum] Example07</span><o:p></o:p></p><div><p class=MsoNormal><span style='font-family:"Calibri","sans-serif"'>To All QE Gurus:</span><o:p></o:p></p></div><div><p class=MsoNormal> <o:p></o:p></p></div><div><p class=MsoNormal><span style='font-family:"Calibri","sans-serif"'>A few days ago, I downloaded de-tared, configured and made espresso-4.2.1, both on my trusty old linux box, and new Win 7 one running VirtualBox. On the former I use an old Kubuntu 7-something and the latter the most recent release, 10-something. Both use bash shell scripting. I started running the examples, and everything was going swimmingly until I got to my favorite, Example07, and on both boxes got the same error on the "lambda.x" step (I inserted the relevant .f90 code) below:</span><o:p></o:p></p></div><div><p class=MsoNormal><span style='font-family:"Calibri","sans-serif"'>****************************************************************</span><o:p></o:p></p></div><div><p class=MsoNormal><span style='font-family:"Calibri","sans-serif"'>running matdyn for a2F(omega) calculation... done<br> running lambda.x for lambda calculation...At line 98 of file lambda.f90<br>Fortran runtime error: Constant string in input format<br>(5x,'Gaussian Broadening: ',f7.3,' Ry, ngauss=',i4)<br> ^<br>Error condition encountered during test: exit status = 2<br>Aborting</span><o:p></o:p></p></div><div><p class=MsoNormal> <o:p></o:p></p></div><div><p class=MsoNormal><span style='font-family:"Calibri","sans-serif"'>(Fortran code)<br> read (iuelph,9000) degauss1, ngauss1<br>9000 format(5x,'Gaussian Broadening: ',f7.3,' Ry, ngauss=',i4)</span><o:p></o:p></p></div><div><p class=MsoNormal> <o:p></o:p></p></div><div><p class=MsoNormal><span style='font-family:"Calibri","sans-serif"'>$ECHO " running lambda.x for lambda calculation...\c"<br>$LAMBDA_COMMAND < <a href="http://lambda.in" target="_blank">lambda.in</a> > lambda.out<br>check_failure $? </span><o:p></o:p></p></div><div><p class=MsoNormal><span style='font-family:"Calibri","sans-serif"'>****************************************************************** </span><o:p></o:p></p></div><div><p class=MsoNormal><span style='font-family:"Calibri","sans-serif"'>I thought it might be a "check_failure" thing (I've had trouble with that before), so I commented out all references to the exec...but it still occurred. Maybe a bash issue?</span><o:p></o:p></p></div><div><p class=MsoNormal> <o:p></o:p></p></div><div><p class=MsoNormal><span style='font-family:"Calibri","sans-serif"'>-Paul</span><o:p></o:p></p></div></div></div></div><p class=MsoNormal><o:p> </o:p></p><div class=MsoNormal align=center style='text-align:center'><hr size=3 width="100%" align=center></div><p class=MsoNormal>_______________________________________________<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><o:p></o:p></p></div></div></div></div><p class=MsoNormal><o:p> </o:p></p></div></body></html>