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<p>Hi Marcos. <br>
</p>
<p>You can use the old density (startingpot='file' in electrons) but
not the wavefunctions. <br>
</p>
<p>If I understand well you are asking whether there is a way to
read the wavefunctions only for those k-point which were in the
first and in the new computations. This option is not implemented
and I am not sure that it would make you save a significant amount
of time. <br>
</p>
<p>Just to ask, but if it is a slab, supposing it is perpendicular
to the z axis, why are you using 3 and 6 points in that
direction shouldn't one point be sufficient ? </p>
<p><br>
</p>
<p>greetings - pietro<br>
</p>
<p><br>
</p>
<p><br>
</p>
<br>
<div class="moz-cite-prefix">On 16/07/2018 18:10, Marcos Veríssimo
Alves wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAOm7q=Aw2gax8tbyGwCVYzpMi3XjgZc8a_ejTGXav6TGDUvNqw@mail.gmail.com">
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<div>Hi all,</div>
<div><br>
</div>
<div>I am performing a calculation for a 129-atom system
including Fe, which demands rather large values of ecutwfc and
ecutrho with respect to other elements present (Cu and N). I
have performed a spin-polarized scf calculation for my slab
using a 5x5x3 Monkhorst-Pack grid, and now I'd like to re-run
the calculation with a denser k-point mesh (say, 8x8x6).</div>
<div><br>
</div>
<div>The thing is, it would be good to use the charge density
and wavefunctions from the previous calculation as input to
the new calculations, in order to save time. However, since
the wavefunctions are written for the different k-points used
in the particular calculation (assuming that the default value
of wf_collect=.true.), how could I restart the calculation
with a denser k-mesh using as much data as possible from the
previous calculation?</div>
<div><br>
</div>
<div>Sorry if this is a too basic question, but I have searched
the documentation and could not find it. Any tips will be
greatly appreciated.</div>
<div><br>
</div>
<div>Best regards,</div>
<div><br>
</div>
<div>Marcos<br>
</div>
</div>
<br>
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