<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><div id="yiv1612978301"><table id="yiv1612978301bodyDrftID" class="yiv1612978301" border="0" cellpadding="0" cellspacing="0"><tbody><tr><td id="yiv1612978301drftMsgContent" style="font:inherit;font-family:arial;font-size:10pt;"><div id="yiv1612978301"><table id="yiv1612978301bodyDrftID" class="yiv1612978301" border="0" cellpadding="0" cellspacing="0"><tbody><tr><td id="yiv1612978301drftMsgContent" style="font:inherit;font-family:arial;font-size:10pt;">Hello,<br>Yes, replacing 'if (sym.eq.seuilK_tab(i)%name) then' by <br>'if(sym.eq.trim(adjustl(seuilK_tab(i)%name)))' in the mygetK.f90 didn't work. It still writes in the 'Could not find the element C in the table of K edge energies!' at the end of the output file.<br>-Niharika Joshi<br>(project student, IISER Pune)<br><br>--- On <b>Fri, 14/10/11, Paolo Giannozzi <i><giannozz@democritos.it></i></b>
wrote:<br><blockquote style="border-left:2px solid rgb(16, 16, 255);margin-left:5px;padding-left:5px;"><br>From: Paolo Giannozzi <giannozz@democritos.it><br>Subject: Re: [Pw_forum] problem in xspectra calculations<br>To: "PWSCF Forum" <pw_forum@pwscf.org><br>Date: Friday, 14
October, 2011, 12:24 PM<br><br><div class="yiv1612978301plainMail">On Thu, 2011-10-13 at 12:49 +0530,
Niharika Joshi wrote:<br><br>> Replacing the 'if' statement didn't work.<br><br>are sure? really?<br>-- <br>Paolo Giannozzi, IOM-Democritos and University of Udine, Italy<br><br><br>_______________________________________________<br>Pw_forum mailing list<br><a rel="nofollow">Pw_forum@pwscf.org</a><br><a rel="nofollow" target="_blank" href="http://www.democritos.it/mailman/listinfo/pw_forum">http://www.democritos.it/mailman/listinfo/pw_forum</a><br></div></blockquote></td></tr></tbody></table></div></td></tr></tbody></table></div></td></tr></table>