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<p>Hi:</p>
<p>Yes, this is related with the fact that you are probably creating
your input file for pw.x inside a shell script (using "EOF") where
you also call to the program. In my case it would stop like
waiting for input without doing anything. <br>
</p>
<p>To solve it, you only have to create your input file separately
(outside the script). Then the klist can be as big as you want (I
don't remember the QE limit). Then, type "pw.x < input" and it
should work.</p>
<p>Best<br>
</p>
<pre class="moz-signature" cols="72">**********************************
Aritz Leonardo Liceranzu
<a class="moz-txt-link-freetext" href="https://aritzleonardo.wordpress.com/">https://aritzleonardo.wordpress.com/</a>
Tel: (+34) 946015338</pre>
<div class="moz-cite-prefix">On 3/15/21 4:28 PM, Paolo Giannozzi
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAPMgbCtADJ9h4X7u329=Q_rvtUQS6t=kKgPKwnPK9DRD+Fi1Lg@mail.gmail.com">
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<div>Something similar was reported some time ago. I don't
remember exactly what and when and what was the problem and
what was the solution, but I am quite sure it wasn't a
problem of QE. Please verify that your data file contains the
correct syntax and the correct number of k-points. Also please
try whether "pw.x -in data-file" and "pw.x < data.file"
give the same problem<br>
</div>
<div><br>
</div>
<div>Paolo<br>
</div>
</div>
<br>
<div class="gmail_quote">
<div dir="ltr" class="gmail_attr">On Sun, Mar 14, 2021 at 11:54
PM Elio Physics <<a href="mailto:Elio-Physics@live.com"
moz-do-not-send="true">Elio-Physics@live.com</a>> wrote:<br>
</div>
<blockquote class="gmail_quote" style="margin:0px 0px 0px
0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<div dir="ltr">
<div
style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">Dear
all,</div>
<div
style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)"><br>
</div>
<div
style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">I
am trying to perform an nscf calculation where the points
in KPOINTS are produced from <a href="http://kmesh.pl"
target="_blank" moz-do-not-send="true">kmesh.pl</a>
utility. I have realized that when list of number of
points exceeds a certain value (I am using 2304 points
with the crystal option), the code crashes with an error:</div>
<div
style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)"><br>
</div>
<div
style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
from card_kpoints : error # 1
<div> end of file while reading crystal k points</div>
</div>
<div
style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)"><br>
</div>
<div
style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">When
I try producing a smaller grid with a smaller number of
points , say 1225 (crystal), the nscf calculation runs
without complaints . I am using the lastest version
qe-6.7. I do not recall having this problem in a previous
version.</div>
<div
style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)"><br>
</div>
<div
style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">Thanks
in advance</div>
<div
style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)"><br>
</div>
<div
style="font-family:Calibri,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)"><br>
</div>
</div>
_______________________________________________<br>
Quantum ESPRESSO is supported by MaX (<a
href="http://www.max-centre.eu" rel="noreferrer"
target="_blank" moz-do-not-send="true">www.max-centre.eu</a>)<br>
users mailing list <a
href="mailto:users@lists.quantum-espresso.org"
target="_blank" moz-do-not-send="true">users@lists.quantum-espresso.org</a><br>
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rel="noreferrer" target="_blank" moz-do-not-send="true">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote>
</div>
<br clear="all">
<br>
-- <br>
<div dir="ltr" class="gmail_signature">
<div dir="ltr">
<div>
<div dir="ltr">
<div>Paolo Giannozzi, Dip. Scienze Matematiche
Informatiche e Fisiche,<br>
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy<br>
Phone +39-0432-558216, fax +39-0432-558222<br>
<br>
</div>
</div>
</div>
</div>
</div>
<br>
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<pre class="moz-quote-pre" wrap="">_______________________________________________
Quantum ESPRESSO is supported by MaX (<a class="moz-txt-link-abbreviated" href="http://www.max-centre.eu">www.max-centre.eu</a>)
users mailing list <a class="moz-txt-link-abbreviated" href="mailto:users@lists.quantum-espresso.org">users@lists.quantum-espresso.org</a>
<a class="moz-txt-link-freetext" href="https://lists.quantum-espresso.org/mailman/listinfo/users">https://lists.quantum-espresso.org/mailman/listinfo/users</a></pre>
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