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<p>Dear all, <br>
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<p>I want to do some calculations on zeolites (mostly consist of Si, Al, and O). So far I have realized that the right choice of cutoff, K_POINTS, and pseudopotential should be done in order to do so. I have two questions here:
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<p>1. Are there more parameters than these three to adjust? <br>
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<p>2. How should it be done? In other words, When I'm doing the convergence test based on for example Cutoff Vs Total energy what should I choose for K_POINTS and pseudpotential in the meantime?
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<p>Any help would be thoroughly appreciated. <br>
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<p>Best,<br>
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<p>Amir M. Mofrad<span> </span></p>
<p>Graduate Research Assistant <span> </span></p>
<p>Chemical Engineering Department</p>
<p>University of Missouri<br>
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