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    <p>Dear Paolo, <br>
    </p>
    <p>Thank you, it was indeed the case, I tried to run it again in a
      clean directory and got the correct result. <br>
    </p>
    <p><br>
    </p>
    <p>Léo <br>
    </p>
    <div class="moz-cite-prefix">Le 07/02/2022 à 15:42, Paolo Giannozzi
      a écrit :<br>
    </div>
    <blockquote type="cite" cite="mid:CAPMgbCvG4xgc4kwDOXTsW8XyvaBiH2vcr2U-gDVqqWH2J4LTow@mail.gmail.com">
      
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        <div dir="ltr">On Mon, Feb 7, 2022 at 1:55 PM Léo Gaspard <<a href="mailto:leo.gaspard@outlook.fr" moz-do-not-send="true" class="moz-txt-link-freetext">leo.gaspard@outlook.fr</a>>
          wrote:<br>
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          <blockquote class="gmail_quote" style="margin:0px 0px 0px
            0.8ex;border-left:1px solid
            rgb(204,204,204);padding-left:1ex">The  program runs
            correctly and the SCF output file says that it generated 59
            k-points. But if I look at the La2CuO4.save directory, there
            are 105 different wfcN.dat files.<br>
          </blockquote>
          <div><br>
          </div>
          <div>"leftover" files from previous runs?</div>
          <div><br>
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          <div>Paolo<br>
          </div>
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            0.8ex;border-left:1px solid
            rgb(204,204,204);padding-left:1ex">
            <br>
            My understanding was that there was one wfcN.dat file per
            k-point, so I <br>
            don't understand the reason there are more than 59 in this
            case.<br>
            <br>
            I am using QE-6.8.<br>
            <br>
            My input :<br>
            <br>
--------------------------------------------------------------------------<br>
            <br>
            &CONTROL<br>
                 calculation='scf',<br>
                 restart_mode='from_scratch',<br>
                 verbosity='high',<br>
            <br>
                 title='La2CuO4',<br>
                 outdir='.',<br>
                 pseudo_dir='.',<br>
                 prefix='La2CuO4',<br>
                 etot_conv_thr=1.0D-10,<br>
            /<br>
            &SYSTEM<br>
                 A=3.813804<br>
                 B=3.813804,<br>
                 C=13.22490200,<br>
                 space_group=139,<br>
            <br>
                 ecutwfc=90,<br>
                 ecutrho=400,<br>
            <br>
                 nat=4,<br>
                 ntyp=3,<br>
            <br>
                 occupations='smearing',<br>
                 smearing='mv',<br>
                 degauss=0.02<br>
            /<br>
            &ELECTRONS<br>
                 electron_maxstep=100,<br>
                 conv_thr=1d-9,<br>
                 startingwfc="atomic",<br>
            /<br>
            ATOMIC_SPECIES<br>
            La  138.90547 La.upf<br>
            Cu   63.546   Cu.upf<br>
            O    15.999  O.upf<br>
            <br>
            ATOMIC_POSITIONS crystal_sg<br>
            La  0.0000000000 0.0000000000 0.3608930000<br>
            Cu  0.0000000000 0.0000000000 0.0000000000<br>
            O   0.0000000000 0.0000000000 0.1862260000<br>
            O   0.0000000000 0.5000000000 0.0000000000<br>
            <br>
            K_POINTS automatic<br>
              8 8 8 0 0 0<br>
--------------------------------------------------------------------------<br>
            <br>
            <br>
            Best regards,<br>
            <br>
            Léo Gapard<br>
            <br>
            Université Toulouse III - Paul Sabatier<br>
            <br>
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        -- <br>
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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>
                  <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>
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