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<div class="elementToProof"><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0); background-color: rgb(255, 255, 255);" class="elementToProof">Dear all,</span></div>
<div class="elementToProof"><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0); background-color: rgb(255, 255, 255);" class="elementToProof"><br>
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<div class="elementToProof"><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0); background-color: rgb(255, 255, 255);" class="elementToProof">I am trying to perform HSE calculations for a transition metal dichalcogenide
system. When the first scf run finishes, the code crashes with an error:</span></div>
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</span></div>
<div class="elementToProof"><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0); background-color: rgb(255, 255, 255);" class="elementToProof ContentPasted0">Error in routine ZPOTRF (1):
<div class="ContentPasted0"> Cholesky failed in invchol.</div>
<div class="ContentPasted0"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div>
<div class="ContentPasted0"> stopping ...</div>
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<div class="ContentPasted0">I have tried decreasing/increasing the KPOINTS sampling, reducing the ecutwfc, turning off symmetries but in vain. Nothing worked.
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<div class="ContentPasted0">I have tried performing the calculations on the simple 'Si' system, and they went perfectly well.</div>
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<div class="ContentPasted0">Any hint of how to overcome this error?</div>
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<div class="ContentPasted0">Regards</div>
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<div class="ContentPasted0">Elie Moujaes</div>
<div class="ContentPasted0">Federal university of Rondonia</div>
<div class="ContentPasted0">Adjunct professor IV</div>
<div class="ContentPasted0">Porto Velho</div>
<div class="ContentPasted0">Brazil<br>
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