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    <p>sorry I forgot to answer :-( <br>
    </p>
    <p>try to add nx ny and nz to the &plot namelist and  have care
      to run pp.x with one mpi task only. <br>
    </p>
    <p>Hope it solves your problem <br>
    </p>
    <p>Pietro <br>
    </p>
    <div class="moz-cite-prefix">On 20/08/20 05:11, Thanh-Nam Huynh
      wrote:<br>
    </div>
    <blockquote type="cite"
cite="mid:CAOQP6dsB+QV5_7rLnUrLDVchbRQmOGGiADJJo=jf1SYCKoDaEw@mail.gmail.com">
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        <p>Dear Pietro, <br>
          <br>
          Thank you for response. Here is the input for the scf
          calculation: <br>
          <br>
          &CONTROL <br>
            calculation='relax', <br>
            restart_mode='from_scratch', <br>
            outdir='.', <br>
            prefix='LVO_slab_opt', <br>
            pseudo_dir='.', <br>
            verbosity='low', <br>
            tprnfor=.true., <br>
            tstress=.true., <br>
            forc_conv_thr=1d-03, <br>
            nstep=100, <br>
          / <br>
          <br>
          &SYSTEM <br>
            ibrav = 0 <br>
            A =    7.80966 <br>
            nat = 88 <br>
            ntyp = 3 <br>
            ecutwfc=50, <br>
            ecutrho=500, <br>
            input_dft='pbe', <br>
            nspin=2, <br>
            occupations='smearing', <br>
            smearing='mv', <br>
            degauss=0.05d0, <br>
            starting_magnetization(3) = 0.5, <br>
          / <br>
          <br>
          &ELECTRONS <br>
            conv_thr=1d-06, <br>
            mixing_mode='local-TF', <br>
            mixing_beta=0.3d0, <br>
          / <br>
          <br>
          &IONS <br>
            ion_dynamics='bfgs', <br>
          / <br>
          <br>
          &CELL <br>
            cell_dynamics='bfgs', <br>
          / <br>
          <br>
          CELL_PARAMETERS {alat} <br>
            1.000000000000000   0.000000000000000   0.000000000000000 <br>
            0.002881883671749   1.000000000000000   0.000000000000000 <br>
            0.000000000000000   0.000000000000000   3.918854341930378 <br>
          <br>
          ATOMIC_SPECIES <br>
             V   50.94150   V.pbe-spnl-kjpaw_psl.1.0.0.UPF <br>
             O   15.99900   O.pbe-n-kjpaw_psl.1.0.0.UPF <br>
            La  138.90500  La.pbe-spfn-kjpaw_psl.1.0.0.UPF <br>
          <br>
          ATOMIC_POSITIONS {crystal} <br>
          La   0.516824000000000   0.512891000000000   0.127471000000000
          0 0 0 <br>
          La   0.016824000000000   0.012891000000000   0.127471000000000
          0 0 0 <br>
          La   0.016824000000000   0.012891000000000   0.382412000000000
          0 0 0 <br>
          La   0.516824000000000   0.512891000000000   0.382412000000000
          0 0 0 <br>
          La   0.987109000000000   0.483176000000000   0.000000000000000
          1 1 1 <br>
          La   0.487109000000000   0.983176000000000   0.000000000000000
          1 1 1 <br>
          La   0.487109000000000   0.983176000000000   0.254941000000000
          0 0 0 <br>
          La   0.487109000000000   0.983176000000000   0.509883000000000
          1 1 1 <br>
          La   0.987109000000000   0.483176000000000   0.254941000000000
          0 0 0 <br>
          La   0.987109000000000   0.483176000000000   0.509883000000000
          1 1 1 <br>
          La   0.012891000000000   0.516824000000000   0.127471000000000
          0 0 0 <br>
          La   0.512891000000000   0.016824000000000   0.127471000000000
          0 0 0 <br>
          La   0.512891000000000   0.016824000000000   0.382412000000000
          0 0 0 <br>
          La   0.012891000000000   0.516824000000000   0.382412000000000
          0 0 0 <br>
          La   0.483176000000000   0.487109000000000   0.000000000000000
          1 1 1 <br>
          La   0.983177000000000   0.987109000000000   0.000000000000000
          1 1 1 <br>
          La   0.983177000000000   0.987109000000000   0.254941000000000
          0 0 0 <br>
          La   0.983177000000000   0.987109000000000   0.509883000000000
          1 1 1 <br>
          La   0.483176000000000   0.487109000000000   0.254941000000000
          0 0 0 <br>
          La   0.483176000000000   0.487109000000000   0.509883000000000
          1 1 1 <br>
           V   0.750000000000000   0.250000000000000   0.063735000000000
          1 1 1 <br>
           V   0.250000000000000   0.750000000000000   0.063735000000000
          1 1 1 <br>
           V   0.250000000000000   0.750000000000000   0.318677000000000
          0 0 0 <br>
           V   0.750000000000000   0.250000000000000   0.318677000000000
          0 0 0 <br>
           V   0.250000000000000   0.250000000000000   0.063735000000000
          1 1 1 <br>
           V   0.750000000000000   0.750000000000000   0.063735000000000
          1 1 1 <br>
           V   0.750000000000000   0.750000000000000   0.318677000000000
          0 0 0 <br>
           V   0.250000000000000   0.250000000000000   0.318677000000000
          0 0 0 <br>
           V   0.750000000000000   0.750000000000000   0.191206000000000
          0 0 0 <br>
           V   0.750000000000000   0.750000000000000   0.446147000000000
          1 1 1 <br>
           V   0.250000000000000   0.250000000000000   0.191206000000000
          0 0 0 <br>
           V   0.250000000000000   0.250000000000000   0.446147000000000
          1 1 1 <br>
           V   0.250000000000000   0.750000000000000   0.191206000000000
          0 0 0 <br>
           V   0.250000000000000   0.750000000000000   0.446147000000000
          1 1 1 <br>
           V   0.750000000000000   0.250000000000000   0.191206000000000
          0 0 0 <br>
           V   0.750000000000000   0.250000000000000   0.446147000000000
          1 1 1 <br>
           O   0.999749000000000   0.779127000000000   0.184001000000000
          0 0 0 <br>
           O   0.499749000000000   0.279127000000000   0.184001000000000
          0 0 0 <br>
           O   0.499749000000000   0.279127000000000   0.438943000000000
          1 1 1 <br>
           O   0.999749000000000   0.779127000000000   0.438943000000000
          1 1 1 <br>
           O   0.720873000000000   0.000251000000000   0.198411000000000
          0 0 0 <br>
           O   0.720873000000000   0.000251000000000   0.453352000000000
          1 1 1 <br>
           O   0.220873000000000   0.500251000000000   0.198411000000000
          0 0 0 <br>
           O   0.220873000000000   0.500251000000000   0.453352000000000
          1 1 1 <br>
           O   0.779127000000000   0.499749000000000   0.070940000000000
          1 1 1 <br>
           O   0.279127000000000   0.999749000000000   0.070940000000000
          1 1 1 <br>
           O   0.279127000000000   0.999749000000000   0.325881000000000
          0 0 0 <br>
           O   0.779127000000000   0.499749000000000   0.325881000000000
          0 0 0 <br>
           O   0.000251000000000   0.220873000000000   0.056531000000000
          1 1 1 <br>
           O   0.500251000000000   0.720873000000000   0.056531000000000
          1 1 1 <br>
           O   0.500251000000000   0.720873000000000   0.311472000000000
          0 0 0 <br>
           O   0.000251000000000   0.220873000000000   0.311472000000000
          0 0 0 <br>
           O   0.500251000000000   0.720873000000000   0.198411000000000
          0 0 0 <br>
           O   0.500251000000000   0.720873000000000   0.453352000000000
          1 1 1 <br>
           O   0.000251000000000   0.220873000000000   0.198411000000000
          0 0 0 <br>
           O   0.000251000000000   0.220873000000000   0.453352000000000
          1 1 1 <br>
           O   0.779127000000000   0.499749000000000   0.184001000000000
          0 0 0 <br>
           O   0.279127000000000   0.999749000000000   0.184001000000000
          0 0 0 <br>
           O   0.279127000000000   0.999749000000000   0.438943000000000
          1 1 1 <br>
           O   0.779127000000000   0.499749000000000   0.438943000000000
          1 1 1 <br>
           O   0.220873000000000   0.500251000000000   0.056531000000000
          1 1 1 <br>
           O   0.720873000000000   0.000251000000000   0.056531000000000
          1 1 1 <br>
           O   0.720873000000000   0.000251000000000   0.311472000000000
          0 0 0 <br>
           O   0.220873000000000   0.500251000000000   0.311472000000000
          0 0 0 <br>
           O   0.999749000000000   0.779127000000000   0.070940000000000
          1 1 1 <br>
           O   0.499749000000000   0.279127000000000   0.070940000000000
          1 1 1 <br>
           O   0.499749000000000   0.279127000000000   0.325881000000000
          0 0 0 <br>
           O   0.999749000000000   0.779127000000000   0.325881000000000
          0 0 0 <br>
           O   0.779371000000000   0.725663000000000   0.000000000000000
          1 1 1 <br>
           O   0.279371000000000   0.225663000000000   0.000000000000000
          1 1 1 <br>
           O   0.279371000000000   0.225663000000000   0.254941000000000
          0 0 0 <br>
           O   0.279371000000000   0.225663000000000   0.509883000000000
          1 1 1 <br>
           O   0.779371000000000   0.725663000000000   0.254941000000000
          0 0 0 <br>
           O   0.779371000000000   0.725663000000000   0.509883000000000
          1 1 1 <br>
           O   0.274337000000000   0.720629000000000   0.127471000000000
          0 0 0 <br>
           O   0.774337000000000   0.220629000000000   0.127471000000000
          0 0 0 <br>
           O   0.774337000000000   0.220629000000000   0.382412000000000
          0 0 0 <br>
           O   0.274337000000000   0.720629000000000   0.382412000000000
          0 0 0 <br>
           O   0.725663000000000   0.279371000000000   0.000000000000000
          1 1 1 <br>
           O   0.225663000000000   0.779371000000000   0.000000000000000
          1 1 1 <br>
           O   0.225663000000000   0.779371000000000   0.254941000000000
          0 0 0 <br>
           O   0.225663000000000   0.779371000000000   0.509883000000000
          1 1 1 <br>
           O   0.725663000000000   0.279371000000000   0.254941000000000
          0 0 0 <br>
           O   0.725663000000000   0.279371000000000   0.509883000000000
          1 1 1 <br>
           O   0.220629000000000   0.274337000000000   0.127471000000000
          0 0 0 <br>
           O   0.720629000000000   0.774337000000000   0.127471000000000
          0 0 0 <br>
           O   0.720629000000000   0.774337000000000   0.382412000000000
          0 0 0 <br>
           O   0.220629000000000   0.274337000000000   0.382412000000000
          0 0 0 <br>
          <br>
          K_POINTS {automatic} <br>
            6 6 1 0 0 0 <br>
          <br>
          And this is the pp.x input file: <br>
          <br>
          &INPUTPP <br>
            outdir='.', <br>
            prefix='LVO_slab_opt', <br>
            plot_num=11, <br>
            filplot='LaO_9layer_15vac.pot', <br>
          / <br>
          <br>
          &PLOT <br>
            iflag=3, <br>
            output_format=3, <br>
          / <br>
          <br>
          Please have a look. <br>
          <br>
          Regards, <br>
          Thanh-Nam</p>
        <p>-- <br>
        </p>
        <div dir="ltr" class="gmail_signature"
          data-smartmail="gmail_signature">
          <div dir="ltr">
            <div>
              <div dir="ltr">
                <div>
                  <div dir="ltr">
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                        <div dir="ltr">
                          <div dir="ltr">
                            <div style="font-size:small">
                              <div dir="ltr"><font size="2"><b>Huynh
                                    Thanh-Nam</b></font><br>
                              </div>
                            </div>
                            <div style="font-size:small"><font size="2">Department
                                of Materials Science and Engineering,
                                Chungnam National University</font></div>
                            <div>Yuseong-gu, Daejeon 34134, Korea<br>
                            </div>
                            <div style="font-size:small"><font size="2">Tel:
                                (+82) 010 5719 1521</font></div>
                          </div>
                        </div>
                      </div>
                    </div>
                  </div>
                </div>
              </div>
            </div>
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      <br>
      <fieldset class="mimeAttachmentHeader"></fieldset>
      <pre class="moz-quote-pre" wrap="">_______________________________________________
Quantum ESPRESSO is supported by MaX (<a class="moz-txt-link-abbreviated" href="http://www.max-centre.eu/quantum-espresso">www.max-centre.eu/quantum-espresso</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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