<html aria-label="message body"><head><meta http-equiv="content-type" content="text/html; charset=utf-8"></head><body style="overflow-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;">Hello,<div><br></div><div>It might be because the Hartree-Fock exchange at one point in space depends on the density at all other points in space (non-local operator). So, as I understood, and strictly speaking, to get a valid density with HF or hybrid functionals, one needs to run a full SCF. Maybe (needs to be checked) QE is internally preventing NSCF with hybrids for that reason.</div><div><br></div><div>HTH,</div><div>Pascal</div><div><br id="lineBreakAtBeginningOfMessage"><div><br><blockquote type="cite"><div>Le 9 juin 2026 à 20:06, Maral Zamani via users <users@lists.quantum-espresso.org> a écrit :</div><br class="Apple-interchange-newline"><div>
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<span style="font-size: 0.875rem;color: #272424">Ce mail provient de l'extérieur, restons vigilants</span>
</p></div><div data-crea="font-wrapper" style="font-family: Tahoma, sans-serif; font-size: 16px; direction: ltr">Why can't an NSCF calculation be run with more k-points or a different k-point mesh than the SCF calculation in HSE functional?</div></div>
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