<div dir="ltr"><div dir="ltr">Dear Quantum Espresso users and Developers,<div><br></div><div>I'm trying to run an NSCF calculation on a test system. I've already run SCF befor this calculation and the data-file-schema.xml is already present in a directory. However, whenever I try to run the NSCF calculation the job is terminated with the following error.</div><div><br></div><div><p style="margin:0px;font-stretch:normal;font-size:13px;line-height:normal;font-family:Menlo;color:rgb(255,255,255);background-color:rgb(0,0,0)"><span style="font-variant-ligatures:no-common-ligatures">Atomic positions and unit cell read from directory:</span></p>
<p style="margin:0px;font-stretch:normal;font-size:13px;line-height:normal;font-family:Menlo;color:rgb(255,255,255);background-color:rgb(0,0,0)"><span style="font-variant-ligatures:no-common-ligatures">     ./outdir/pwscf.save/</span></p>
<p style="margin:0px;font-stretch:normal;font-size:13px;line-height:normal;font-family:Menlo;color:rgb(255,255,255);background-color:rgb(0,0,0)"><span style="font-variant-ligatures:no-common-ligatures">     Message from routine qexsd_readschema :</span></p>
<p style="margin:0px;font-stretch:normal;font-size:13px;line-height:normal;font-family:Menlo;color:rgb(255,255,255);background-color:rgb(0,0,0)"><span style="font-variant-ligatures:no-common-ligatures">     xml data file ./outdir/pwscf.save/data-file-schema.xml not found</span></p>
<p style="margin:0px;font-stretch:normal;font-size:13px;line-height:normal;font-family:Menlo;color:rgb(255,255,255);background-color:rgb(0,0,0);min-height:15px"><span style="font-variant-ligatures:no-common-ligatures"></span><br></p>
<p style="margin:0px;font-stretch:normal;font-size:13px;line-height:normal;font-family:Menlo;color:rgb(255,255,255);background-color:rgb(0,0,0)"><span style="font-variant-ligatures:no-common-ligatures"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</span></p>
<p style="margin:0px;font-stretch:normal;font-size:13px;line-height:normal;font-family:Menlo;color:rgb(255,255,255);background-color:rgb(0,0,0)"><span style="font-variant-ligatures:no-common-ligatures">     Error in routine read_conf_from_file (1):</span></p>
<p style="margin:0px;font-stretch:normal;font-size:13px;line-height:normal;font-family:Menlo;color:rgb(255,255,255);background-color:rgb(0,0,0)"><span style="font-variant-ligatures:no-common-ligatures">     fatal error reading xml file</span></p>
<p style="margin:0px;font-stretch:normal;font-size:13px;line-height:normal;font-family:Menlo;color:rgb(255,255,255);background-color:rgb(0,0,0)"><span style="font-variant-ligatures:no-common-ligatures"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</span></p>
<p style="margin:0px;font-stretch:normal;font-size:13px;line-height:normal;font-family:Menlo;color:rgb(255,255,255);background-color:rgb(0,0,0);min-height:15px"><span style="font-variant-ligatures:no-common-ligatures"></span><br></p>
<p style="margin:0px;font-stretch:normal;font-size:13px;line-height:normal;font-family:Menlo;color:rgb(255,255,255);background-color:rgb(0,0,0)"><span style="font-variant-ligatures:no-common-ligatures">     stopping ...</span></p></div><div><br></div><div>it would really be very helpful if you point me how to solve this problem.</div><div>Thanks in advance for your kind help.</div><div><br clear="all"><div><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div>Best Regards,</div><div>Mehboob</div></div></div></div></div></div></div></div></div></div></div></div></div>