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<p>Hello <br>
</p>
<p>it seems fine; you are almost at convergence.</p>
<p>If I understand your doubt, you are confusing with the
convergence in cut-off energy. <br>
</p>
<p>At variance with convergence for the plane wave basis set, the
convergence in the k-points mesh is not "variational". It is not
that a denser mesh has to give you a lower or equal value of the
energy, you are just removing erroneous contribution to the sum in
the Brillouin zone coming from oscillating terms of shorter and
shorter periodicity. Removing more terms should eventually give
you a more precise estimate of the integral. <br>
</p>
<p>What you have to minimize is the difference of the energy at a
certain mesh density with the ones obtained using denser meshes,
an that difference in your case is indeed decreasing</p>
<p>I hope it helps. <br>
</p>
<p>regards <br>
</p>
<p>Pietro <br>
</p>
<div class="moz-cite-prefix">On 01/10/20 07:20, Anupriya Nyayban
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAA3WfUgnZGn26WNAbsGLTX=g2NsU2S2fmntGYYrj+F7Rp+8Z_A@mail.gmail.com">
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<div dir="auto">Dear experts/users,
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<div dir="auto">I was trying to check the convergence for an
orthorohmbic system and got ecut convergence for 70. Later, I
choose a smaller ecut of 40 for testing kmesh convergence to
reduce the computation time. But, I observed a opposite
pattern of convergence graph which is attached below. Please
suggest me what could be the possible reason! ( I choose the
key 'K_POINTS (automatic)' as ' $CUTOFF $CUTOFF $CUTOFF 1 1
1', where CUTOFF value varies from 3 to 7.)</div>
<div dir="auto"><br>
</div>
<div dir="auto">Any kind suggestions will be helpful for me. </div>
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</div>
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<div dir="auto">Thank you </div>
<div dir="auto"><br>
</div>
<div dir="auto">With regards</div>
<div dir="auto">Anupriya Nyayban</div>
<div dir="auto"><br>
</div>
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</div>
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</div>
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