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    <p>Hi <br>
    </p>
    <p>which version of the code are you using ? In the last version npk
      is already set to 40000.  <br>
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    <div class="moz-cite-prefix"><br>
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    <div class="moz-cite-prefix">an easy solution could be to split the
      calculation in 2 or 3 independent calculations in which you
      compute a part of the k-points.  <br>
    </div>
    <div class="moz-cite-prefix">It might be a little be awkward to
      collect the results afterwards it depends, what you need them for.<br>
    </div>
    <div class="moz-cite-prefix"><br>
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    <div class="moz-cite-prefix">Hope this helps - greetings Pietro <br>
    </div>
    <div class="moz-cite-prefix"><br>
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    <div class="moz-cite-prefix">On 8/20/20 4:15 AM, Fanhao Jia wrote:<br>
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          <div> <span>Dear developers,  </span></div>
          <div><span>I am doing a nscf calculation of GaAs with so many
              k-points. </span></div>
          <div><span>I can run  the calculation if the number of
              k-points is 1000, and it is very fast to finish.</span></div>
          <div><span>But when I increase to 12*12*12=1728 k-points, the
               program does not really run, there is no output or error.</span></div>
          <div>I have increased the nkp in Module/parameter.f90  to
            100000,  it doesn't help. Increasing cpus still doesn't
            help.</div>
          <div>I have attached my input. <span style="line-height: 1.6;">If
              you have any idea, please let me know.</span></div>
          <div>Best,</div>
          <div>Fanhao</div>
          <div><span><br>
            </span></div>
          <div><span>
              <div>&control</div>
              <div>   calculation = 'bands'</div>
              <div>   pseudo_dir = '../'</div>
              <div>/</div>
              <div>&system</div>
              <div>   ecutwfc = 60.0</div>
              <div>   ibrav = 0</div>
              <div>   nat = 2</div>
              <div>   ntyp = 2</div>
              <div>   nbnd=16</div>
              <div>/</div>
              <div>&electrons</div>
              <div>   electron_maxstep = 100</div>
              <div>   conv_thr = 1e-10</div>
              <div>   diago_full_acc = .true.</div>
              <div>   diago_david_ndim = 4</div>
              <div>   mixing_ndim = 8</div>
              <div>   mixing_mode = 'plain'</div>
              <div>   diagonalization = 'david'</div>
              <div>   mixing_beta = 0.7</div>
              <div>/</div>
              <div>CELL_PARAMETERS angstrom</div>
              <div>   0.0 2.82675 2.82675</div>
              <div>   2.82675 0.0 2.82675</div>
              <div>   2.82675 2.82675 0.0</div>
              <div>ATOMIC_SPECIES </div>
              <div>   Ga 69.723 'Ga.UPF'</div>
              <div>   As 74.9216 'As.UPF'</div>
              <div>ATOMIC_POSITIONS crystal</div>
              <div>   Ga 0.0 0.0 0.0</div>
              <div>   As 0.25 0.25 0.25</div>
              <div>K_POINTS crystal</div>
              <div>  1728</div>
              <div>  0.000000000   0.000000000  0.000000000  1.0</div>
              <div>  0.000000000   0.000000000  0.083333333  1.0</div>
              <div>  0.000000000   0.000000000  0.166666667  1.0</div>
              <div>  0.000000000   0.000000000  0.250000000  1.0</div>
              <div>  0.000000000   0.000000000  0.333333333  1.0</div>
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