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Thanks for the quick reply</div>
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To perform this task, I downloaded the full table of PP from pseudo dojo, with the following settings:</div>
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Type:NC SR (ONCVPSP v0.4)</div>
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XC: PBE</div>
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Accuracy: standard</div>
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Format: upf</div>
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My attempts so far were to mix B-C and Si-Al, both unsuccessful. Maybe my mistake is in the choice of these PP files, and if so, where can I get the adequate ones to work with the virtual.x?</div>
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Thank you all for the assistance</div>
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Fábio Costa</div>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>De:</b> users <users-bounces@lists.quantum-espresso.org> em nome de Pietro Delugas <pdelugas@sissa.it><br>
<b>Enviado:</b> segunda-feira, 25 de fevereiro de 2019 09:05<br>
<b>Para:</b> users@lists.quantum-espresso.org<br>
<b>Assunto:</b> Re: [QE-users] The virtual.x problems</font>
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<p><font size="-1">Hi Fabio <br>
</font></p>
<p><font size="-1">I just tried current version with Al-Ga Ga-In Al-In C-Si Si-Ge P-As, which are more or less all of pairs which come to my mind where virtual can be used, and apart from Al-Ga where it doesn't work because Ga pseudo has usually d semicores
every seems to work fine. <br>
</font></p>
<p><font size="-1">Please le me have the 2 pseudos you are trying to mix. <br>
</font></p>
<p><font size="-1">Pietro<br>
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<div class="x_moz-cite-prefix">On 24/02/19 23:41, Fabio Costa wrote:<br>
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<p class="x_MsoNormal"><span lang="EN-US">Hello everybody</span></p>
<p class="x_MsoNormal"><span lang="EN-US"> </span></p>
<p class="x_MsoNormal"><span lang="EN-US">Sorry for reopening this post, but Im currently struggling to work with this virtual.x tool.</span></p>
<p class="x_MsoNormal"><span lang="EN-US"> </span></p>
<p class="x_MsoNormal"><span lang="EN-US">I’m working with QE v.6.3, and tried to do the task with both the updated and original version of virtual.x. After inputting the PP to mix together, the program generates the output file, but ends with the message:</span></p>
<p class="x_MsoNormal"><span lang="EN-US"> </span></p>
<p class="x_MsoNormal"><span lang="EN-US">At line 215 of file write_upf_v2.f90</span></p>
<p class="x_MsoNormal"><span lang="EN-US">Fortran runtime error: End of file</span></p>
<p class="x_MsoNormal"><span lang="EN-US"> </span></p>
<p class="x_MsoNormal"><span lang="EN-US">Also, when I open the output PP, NewPseudo.UPF, it contains the following text:</span></p>
<p class="x_MsoNormal"><span lang="EN-US"> </span></p>
<p class="x_MsoNormal"><span lang="EN-US"><?xml version “1.0” encoding=”UTF-8”?></span></p>
<p class="x_MsoNormal"><span lang="EN-US"><UPF version=”2.0.1”></span></p>
<p class="x_MsoNormal"><span lang="EN-US"> </span></p>
<p class="x_MsoNormal"><span lang="EN-US">Thank you all for any assistance</span></p>
<p class="x_MsoNormal"><span lang="EN-US"> </span></p>
<p class="x_MsoNormal"><span lang="EN-US">Cheers</span></p>
<p class="x_MsoNormal"><span lang="EN-US">Fábio Costa</span></p>
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