<html><head><meta http-equiv=Content-Type content="text/html; charset=UTF-8"><META name="Author" content="GroupWise WebAccess"><style type="text/css">
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</style></head><body style='font-family: Helvetica, Arial, sans-serif; font-size: 13px; '><div>Dear all,</div><br><div>how to calculate a band structure with hybrid functionals, for example HSE.</div><br><div>The problem is the non-self-consistent field calculation (nscf) which is not allowed for hybrid functionals.</div><br><div><div>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div> task # 60</div><div> from setup : error # 1</div><div> hybrid XC not allowed in non-scf calculations</div></div><div>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><br><div>Is there a workaround?</div><br><br><div>Best,</div><div>Stefan Seidl</div></body></html>