<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=UTF-8">
</head>
<body text="#000000" bgcolor="#FFFFFF">
<p>Hi Saroj,</p>
<p>which QE version have you used? As far as I remember you must use
-D__OLDXML flag during the compilation of recent QE version or use
older QE version. Moreover, AFAIK in the most recent QE this flag
was completely removed...</p>
<p>Best,</p>
<p>Oleksandr<br>
</p>
<div class="moz-cite-prefix">On 19/09/2019 02:25, Samar Chand wrote:<br>
</div>
<blockquote type="cite"
cite="mid:20190919002527.4E9DE2006D@mta01a.spin.it">
<meta http-equiv="Content-Type" content="text/html; charset=UTF-8">
<meta name="Generator" content="Microsoft Word 15 (filtered
medium)">
<style><!--
/* Font Definitions */
@font-face
{font-family:"Cambria Math";
panose-1:2 4 5 3 5 4 6 3 2 4;}
@font-face
{font-family:Calibri;
panose-1:2 15 5 2 2 2 4 3 2 4;}
/* Style Definitions */
p.MsoNormal, li.MsoNormal, div.MsoNormal
{margin:0in;
margin-bottom:.0001pt;
font-size:11.0pt;
font-family:"Calibri",sans-serif;}
.MsoChpDefault
{mso-style-type:export-only;}
@page WordSection1
{size:8.5in 11.0in;
margin:1.0in 1.0in 1.0in 1.0in;}
div.WordSection1
{page:WordSection1;}
--></style>
<div class="WordSection1">
<p class="MsoNormal">Hi Guys, <o:p></o:p></p>
<p class="MsoNormal">I am trying unfold the band structure of
WS2 supercell with the held of BandUp. I am getting following
error:<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">ERROR (read_qe_evc_file): Problems opening
the XML data-file
"../step_3_get_SC_wavefunctions_to_be_used_for_unfolding/outdir/bulk_Si_exmpl2_BandUP.save/data-file.xml"!<o:p></o:p></p>
<p class="MsoNormal">I have attached output file. Could anyone
please me to figure out the problem?<o:p></o:p></p>
<p class="MsoNormal">Thank you!<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Best,<o:p></o:p></p>
<p class="MsoNormal">Saroj<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
</div>
<br>
<fieldset class="mimeAttachmentHeader"></fieldset>
<pre class="moz-quote-pre" wrap="">_______________________________________________
Quantum ESPRESSO is supported by MaX (<a class="moz-txt-link-abbreviated" href="http://www.max-centre.eu/quantum-espresso">www.max-centre.eu/quantum-espresso</a>)
users mailing list <a class="moz-txt-link-abbreviated" href="mailto:users@lists.quantum-espresso.org">users@lists.quantum-espresso.org</a>
<a class="moz-txt-link-freetext" href="https://lists.quantum-espresso.org/mailman/listinfo/users">https://lists.quantum-espresso.org/mailman/listinfo/users</a></pre>
</blockquote>
<pre class="moz-signature" cols="72">--
Oleksandr Motornyi
PhD candidate
Laboratoire de Solides Irradies
Ecole Polytechnique (Palaiseau, France)</pre>
</body>
</html>