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<p>Hi Lucas</p>
<p>The forces are zero because of symmetry (the 1E-13 Ha is noise).
You should check the pressure (stress tensor) instead.
Alternatively, you can perform a volume optimization and check the
convergence of the lattice parameter wrt. k-point grid.</p>
<p>Cheers Fabian<br>
</p>
<div class="moz-cite-prefix">On 28.06.2021 19:00, Lucas Bandeira
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAM1=HZm0WxJwKD4LrhCCER75TMO...@mail.gmail.com">
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<div dir="ltr">Dear cp2k community,
<div><br>
</div>
<div>I am trying to analyze k-points convergence for a Au bulk,
but I am facing a problem: the atomic forces are too small.
They are of the order of 1E-13 Ha. Then, when I try to compute
the atomic forces between two consecutive grids, they are of
the order of 1E-14 Ha, much lower than the threshold I
use, 4.5E-4 Ha (the default maximum atomic force used in cp2k
geometry optimization). So basically it means that the results
will be the same no matter the k-point mesh I choose, from a
1x1x1 to a 15x15x15 mesh. Can somebody help me to solve this
problem? Attached are one of the inputs that I have used and
the corresponding output.</div>
<div><br>
</div>
<div>Yours sincerely,</div>
<div><br>
</div>
<div>Lucas Bandeira</div>
</div>
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