[Pw_forum] dexx negative but exxdiv_treatment set to none

Hello, I have been running a hybrid functional calculation and have been encountering problems when the dexx becomes negative.I have tried to deal with this in a heavy handed manner by just setting the diverging term to zero making use of the settings exxdiv_treatment='none' x_gamma_ex

[Pw_forum] one-electron contribution to the total energy

Hello, I want to ask how the one-electron contribution is calculated in the report of the total energy after an scf calculation. I think my question amounts to asking: "what are the energies that are being used for the one-electron orbitals which when summed over with the correct occupancy give

[Pw_forum] hybrid calculation stopping after first scf convergence

I have been trying to run a hybrid PBE0 calculation in parallel and have run into a recurring problem in which the calculation stops after scf convergence is first acheived - the calculation stops and doesn't go on to refine the calculation with exx. I have tried to run the calculation with betw