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Dear A. Shekaari<br>
<br>
The energy cutoffs depend strongly on pseudopotentials that You use.
If You are using ultrasoft pp then the answer is yes. In general,
metals need to have high cutoffs.<br>
<br>
More general: before any calculation one always should do the
cutoffs vs energy convergence tests. Only then You will see, what
cutoff do You need to use. I don't think is Your system 2D or 3D
relevant at all. <br>
<br>
Konrad.<br>
<br>
<div class="moz-cite-prefix">W dniu 03.06.2016 o 09:51, ashkan
shekaari pisze:<br>
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<div dir="ltr">Dear experts,
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<div>Is it necessary to take the kinetic energy cut-off for the
charge density and the potential 8-12 times larger than the
energy cut-off for the wave functions for the case of 2D-MoS2?</div>
<div><br>
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<div>Doesn't a less value of about 4 times larger than the
energy cut-off for the wave functions work?</div>
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<div><b>--</b></div>
<div><i style="font-size:12.8px">Best,</i></div>
<div><i>Ashkan Shekaari</i></div>
<div><i>Plasma Physics Research
Center</i></div>
<div><i style="font-size:12.8px"><span
style="font-size:12.8px">Science
and Research Branch</span></i></div>
<div><i>I A U, <span
style="font-size:12.8px">14778-93855
Tehran, Iran.</span></i></div>
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