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<p><font size="-1">Dear Felipe <br>
</font></p>
<p><font size="-1">which version of pw.x did you use ? I have tried
the example running all things with 6.5 version, and it
worked. <br>
</font></p>
<p><font size="-1">In any case could you send me the xml data file ?
thanks <br>
</font></p>
<p><font size="-1">kind regards - Pietro<br>
</font></p>
<div class="moz-cite-prefix">On 07/06/20 00:45, Felipe Toledo
Carrasco wrote:<br>
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<blockquote type="cite"
cite="mid:CAEHJv_eHsKU-PWDDC3dY92YX7HPsFHkfNE+4mi9hw_MvaCWa1Q@mail.gmail.com">
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<pre style="white-space:pre-wrap;color:rgb(0,0,0)">Dear Quantum Espresso community:</pre>
<pre style="white-space:pre-wrap;color:rgb(0,0,0)">I followed the steps of the tutorial from Christoph Wolf: (<a href="https://christoph-wolf.at/2018/05/02/dipole-correction-in-quantum-espresso/" style="font-family:Arial,Helvetica,sans-serif" target="_blank" moz-do-not-send="true">https://christoph-wolf.at/2018/05/02/dipole-correction-in-quantum-espresso/</a><span style="font-family:Arial,Helvetica,sans-serif;color:rgb(34,34,34)">). I did scf calculations and now I need to carry out the pp.x calculations. In this step, the outfile sends me the following error:
Program POST-PROC v.6.5 starts on 6Jun2020 at 18:23:49
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
"P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
URL <a href="http://www.quantum-espresso.org" moz-do-not-send="true">http://www.quantum-espresso.org</a>",
in publications or presentations arising from this work. More details at
<a href="http://www.quantum-espresso.org/quote" moz-do-not-send="true">http://www.quantum-espresso.org/quote</a>
Serial version
Reading xml data from directory:
./tmp/mgo.save/
Message from routine qes_read:scf_convType:
convergence_achieved: wrong number of occurrences
Message from routine qes_read:scf_convType:
error reading convergence_achieved
Message from routine qexsd_readschema :
error reading output_obj of xsd data file
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine read_xml_file (4):
fatal error reading xml file
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
</span></pre>
<pre style="white-space:pre-wrap;color:rgb(0,0,0)"><span style="font-family:Arial,Helvetica,sans-serif;color:rgb(34,34,34)">Please, I will be grateful if you help me with this,
Regards,
</span></pre>
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