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Hello,</div>
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I was doing the convergence testing of CuI material.</div>
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For a fixed Ecutwfc value, when I increase the Ecutrho the total energy of the system increase. I was expecting the inverse.</div>
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For example for Ecutwfc=90 Ry and Ecutrho= 180 Ry the total energy= -2368.11704109 Ry<br>
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and for Ecutwfc=90 Ry and Ecutrho=450 Ry the total energy= -2368.11613851 Ry.</div>
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Is that logic? I thought that an increase in the basis-set minimize the system energy.</div>
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I also remarked in the pseudopotential file that :</div>
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For Cu : - Suggested minimum cutoff for wavefunctions: 45. Ry<br class="ContentPasted0">
- Suggested minimum cutoff for charge density: 236. Ry</div>
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For I : - Suggested minimum cutoff for wavefunctions: 24. Ry<br class="ContentPasted1">
- Suggested minimum cutoff for charge density: 109. Ry</div>
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So how it can be that the suggested minimum cutoff for charge density of Cu is 236 Ry, while I found that the system have a minimum total energy for Ecutrho=180 Ry<br>
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