<div dir="ltr">Dear All.<div><br></div><div>I was performing a vc-relax calculation with an extra electron (tot_charge=-1) and PBE+U. </div><div>The calculation went well until the final scf calculation, when it crashed with</div><div><br></div><div><p style="margin:0px;font-size:11px;font-family:Menlo"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</p><p style="margin:0px;font-size:11px;font-family:Menlo">     Error in routine davcio (10):</p><p style="margin:0px;font-size:11px;font-family:Menlo">     error while reading from file</p><p style="margin:0px;font-size:11px;font-family:Menlo"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</p><p style="margin:0px;font-size:11px;font-family:Menlo"><br></p><p style="font-family:arial,sans-serif;font-size:13px;margin:0px">Does someone have any idea what could be the problem here? I am using the version 5.0.2. I have attached here the input file, and the initial and final parts of the output file (because the file is huge). <br></p><p style="font-family:arial,sans-serif;font-size:13px;margin:0px">I don't believe it is a quota problem since I have 7000 GB of space.</p><p style="font-family:arial,sans-serif;font-size:13px;margin:0px"><br></p><p style="font-family:arial,sans-serif;font-size:13px;margin:0px">I will really appreciate any help. </p><p style="font-family:arial,sans-serif;font-size:13px;margin:0px"><br></p><p style="font-family:arial,sans-serif;font-size:13px;margin:0px">Best wishes,</p></div><div><br></div><div><div class="gmail_signature"><div dir="ltr">Juliana M. Morbec, Ph.D.<div>Postdoctoral Researcher </div><div>Institute for Molecular Engineering, The University of Chicago</div><div></div><div><br></div><div><div><br><br></div></div></div></div></div>
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