[QE-developers] Hybrid functional band structure calculation

[Shuyang Yang]

Hi,  All,

After I run the scf calculation with PBE0, I want to use calculation=‘bands’ with PBE0, but this message occurs:

Error in routine setup (1):
     hybrid XC not allowed in non-scf calculations

Does any one know how to fix it ? Or how can I calculate the hybrid function band structure in the right way.
My qe version is 6.1

Best,
Shuyang,
Carnegie Mellon University