[QE-users] Adding zero weight k-point in hybrid functional calculation

Hi all, When I used hybrid functional, there were some results I couldn't understand. When I added 8 extra k-points with weight 0, the total energy doesn't change. This is good. However, the eigenvalues for the zero weight k-points are very different from the ones having weights, almost by 10 eV.

[QE-users] Adding zero weight k-point in hybrid functional calculation

Hi all, When I used hybrid functional, there were some results I couldn't understand. When I added 8 extra k-points with weight 0, the total energy doesn't change. This is good. However, the eigenvalues for the zero weight k-points are very different from the ones having weights, almost by 10 eV.