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Dear professor Paolo and Aritz,</div>
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Thank you both for the answers.</div>
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Professor Paulo, I have checked the syntax, it is correct. I have also tried running using "-in"; the problem remains.<br>
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Aritz, I did not get the idea of "inside" and "outside" the script. Can you please clarify further?</div>
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What I am doing is that I am creating the list of kpoints using kmseh.pl and then copy paste into the input file. To run the pw.x executable I use a PBS script.</div>
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Regards</div>
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<div id="divRplyFwdMsg" dir="ltr"><font style="font-size:11pt" face="Calibri, sans-serif" color="#000000"><b>From:</b> users <users-bounces@lists.quantum-espresso.org> on behalf of Paolo Giannozzi <p.giannozzi@gmail.com><br>
<b>Sent:</b> Monday, March 15, 2021 1:28 PM<br>
<b>To:</b> Quantum ESPRESSO users Forum <users@lists.quantum-espresso.org><br>
<b>Subject:</b> Re: [QE-users] nscf crashing</font>
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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>
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<div>Paolo<br>
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<div dir="ltr" class="x_gmail_attr">On Sun, Mar 14, 2021 at 11:54 PM Elio Physics <<a href="mailto:Elio-Physics@live.com">Elio-Physics@live.com</a>> wrote:<br>
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Dear all,</div>
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I am trying to perform an nscf calculation where the points in KPOINTS are produced from
<a href="http://kmesh.pl" target="_blank">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>
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from card_kpoints : error # 1
<div> end of file while reading crystal k points</div>
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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>
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Thanks in advance</div>
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<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>
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