<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><div id="yiv352634211"><table id="yiv352634211bodyDrftID" class="yiv352634211" border="0" cellpadding="0" cellspacing="0"><tbody><tr><td id="yiv352634211drftMsgContent" style="font:inherit;font-family:arial;font-size:10pt;"><div id="yiv352634211"><table id="yiv352634211bodyDrftID" class="yiv352634211" border="0" cellpadding="0" cellspacing="0"><tbody><tr><td id="yiv352634211drftMsgContent" style="font:inherit;font-family:arial;font-size:10pt;">Hello,<br>It writes 'Could not find the element C in the table of K edge energies!' after the calculations for all the k-points is over. I have attached the output file.<br>Yes, I tried printing the variables 'sym' and seuilK_tab(6)%name.<br>For both sym and seuilK_tab(6)%name it prints 'C'. But it does not print if I write inside the 'if-loop'.<br>-Niharika Joshi<br>(project student, IISER Pune)<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, 2:56 PM<br><br><div class="yiv352634211plainMail"><br>On Oct 14, 2011, at 16:40 , Niharika Joshi wrote:<br><br>> Yes,
replacing 'if (sym.eq.seuilK_tab(i)%name) then'<br>> by 'if(sym.eq.trim(adjustl(seuilK_tab(i)%name)))' in<br>> the mygetK.f90 didn't work.<br>> It still writes in the 'Could not find the element C<br>> in the table of K edge energies!' at the end of the output file.<br><br><br>where does it write, and why? have you located in the code<br>where the error message is issued? have you tried printing<br>the variables whose value is not what is expected?<br><br>P.<br>---<br>Paolo Giannozzi, Dept of Chemistry&Physics&Environment,<br>Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>Phone +39-0432-558216, fax +39-0432-558222<br><br><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>