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<div class="">Dear Pietro and Quantum Espresso friends,</div>
<div class=""><br class="">
</div>
<div class="">Of course, one needs to create the PAW data set first, before one can test it.</div>
<div class="">I don’t know why I expected it to work the other way around, but I feel pretty stupid :)</div>
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</div>
<div class="">Mea Culpa, mea magna culpa!</div>
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<div class="">Sorry for the noise.</div>
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With kind regards,</div>
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<blockquote type="cite" class="">
<div class="">On 3 Oct 2019, at 13:49, Pietro Delugas <<a href="mailto:pdelugas@sissa.it" class="">pdelugas@sissa.it</a>> wrote:</div>
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<p class=""><font size="-1" class="">hello Willem <br class="">
</font></p>
<font size="-1" class="">the program is complaining the it is not able to find the pseudo file to read it and test it.
<br class="">
</font>
<p class=""><font size="-1" class="">very hard to understand why from afar.<br class="">
</font></p>
<p class=""><font size="-1" class="">could you send more details on what you are doing ?</font></p>
<p class="">thanks and greetings <br class="">
</p>
<p class="">Pietro</p>
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</p>
<p class=""><br class="">
</p>
<div class="moz-cite-prefix">On 03/10/19 12:00, Offermans Willem wrote:<br class="">
</div>
<blockquote type="cite" cite="mid:5DA06EF8-7197-478A-BE0B-FA9E17364A1D@Vito.be" class="">
<div class="">
<div class="">Dear Quantum Espresso friends,</div>
<div class=""><br class="">
</div>
<div class="">I’m trying to generate some PAW data sets.</div>
<div class=""><br class="">
</div>
<div class="">I’m using some definitions files, provided by <a href="https://github.com/dalcorso/pslibrary" class="" moz-do-not-send="true">https://github.com/dalcorso/pslibrary</a>.</div>
<div class=""><br class="">
</div>
<div class="">The ld1.x program is used to generate the PAW data sets.</div>
<div class="">However I got an error upon execution (see below).</div>
<div class="">Does somebody have an idea how to avoid the error?</div>
<div class="">What is the file, that cannot be opened?</div>
<div class=""><br class="">
</div>
<div class=""><br class="">
</div>
<div class="">$ ld1.x -i ./Pd.pw91-n-kjpaw_psl.1.0.0.test.in </div>
<div class=""><br class="">
</div>
<div class=""> Program LD1 v.6.4.1 starts on 3Oct2019 at 11:55:45 </div>
<div class=""><br class="">
</div>
<div class=""> This program is part of the open-source Quantum ESPRESSO suite</div>
<div class=""> for quantum simulation of materials; please cite</div>
<div class=""> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);</div>
<div class=""> "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);</div>
<div class=""> URL <a href="http://www.quantum-espresso.org/" class="" moz-do-not-send="true">
http://www.quantum-espresso.org</a>", </div>
<div class=""> in publications or presentations arising from this work. More details at</div>
<div class=""> <a href="http://www.quantum-espresso.org/quote" class="" moz-do-not-send="true">http://www.quantum-espresso.org/quote</a></div>
<div class=""><br class="">
</div>
<div class=""> Parallel version (MPI), running on 1 processors</div>
<div class=""><br class="">
</div>
<div class=""> MPI processes distributed on 1 nodes</div>
<div class=""> Reading input from ./Pd.pw91-n-kjpaw_psl.1.0.0.test.in</div>
<div class="">ERROR(FoX)</div>
<div class="">Cannot open file</div>
</div>
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Met vriendelijke groeten,</div>
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Mit freundlichen Grüßen,</div>
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With kind regards,</div>
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