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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'>Dear Somayeh:<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><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D'>http://www.democritos.it/pipermail/pw_forum/2010-March/016343.html<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><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D'>In many cases, goolging brings you to the answers, OK?<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><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D'>Chan-Woo<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><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D'>-------<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D'>Chan-Woo Lee, Ph.D.<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D'>Postdoctoral Research Associate<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><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D'>Department of Chemistry<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D'>University of Pennsylvania<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D'>231 South 34th Street<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D'>Philadelphia, PA 19104-6323 <o:p></o:p></span></p><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D'>Phone: 1-215-898-3564 (Office)<o:p></o:p></span></p><p class=MsoNormal><i><span style='font-size:10.0pt;font-family:"Arial","sans-serif"'><br><br></span></i><span style='font-size:10.0pt;font-family:"Arial","sans-serif"'><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><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D'><o:p> </o:p></span></p><p class=MsoNormal><a name="_MailEndCompose"><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D'><o:p> </o:p></span></a></p><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>somayeh fotohi<br><b>Sent:</b> Tuesday, February 28, 2012 2:19 PM<br><b>To:</b> pw_forum@pwscf.org<br><b>Subject:</b> [Pw_forum] scf calculation<o:p></o:p></span></p><p class=MsoNormal><o:p> </o:p></p><table class=MsoNormalTable border=0 cellspacing=0 cellpadding=0><tr><td valign=top style='padding:0in 0in 0in 0in'><div><p class=MsoNormal><span style='font-size:13.5pt'>Dear All</span><o:p></o:p></p></div><div><p class=MsoNormal><span style='font-size:13.5pt'>I run .scf file.</span><o:p></o:p></p></div><div><p class=MsoNormal><span style='font-size:13.5pt'>I get the following errors after 23 iterations in output file and running of .scf is stopped.</span><o:p></o:p></p></div><div><p class=MsoNormal> <o:p></o:p></p></div><p class=MsoPlainText style='mso-margin-top-alt:0in;margin-right:0in;margin-bottom:0in;margin-left:17.3pt;margin-bottom:.0001pt'><span style='font-size:13.5pt'>from c_bands : error # 1<br> too many bands are not converged</span><o:p></o:p></p><div><p class=MsoNormal style='margin-bottom:12.0pt'><span style='font-size:13.5pt'>I really appreciate if anyone can help me. <br><br>Thanks</span><o:p></o:p></p></div></td></tr></table><p class=MsoNormal><span style='font-size:10.0pt;font-family:"Calibri","sans-serif"'><o:p> </o:p></span></p></div></body></html>