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

users mailing list
  • [QE-users] band struc... (Stefan Seidl)

Reply via email to