[QE-users] band structure with hybrid functional HSE

stefan.seidl@physik.uni-regensburg.de (Stefan Seidl) Stefan.Seidl at physik.uni-regensburg.de
Sun Apr 8 15:56:40 CEST 2018

Dear all,

how to calculate a band structure  with hybrid functionals, for example HSE.

The problem is the non-self-consistent field calculation (nscf) which is not allowed for hybrid  functionals.

     task #        60
     from setup  : error #         1
     hybrid XC not allowed in non-scf calculations


Is there a workaround?

Stefan Seidl

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