linpeize
linpeize
> [hse.zip](https://github.com/user-attachments/files/18355652/hse.zip) Attached files are the input for qe and abacus. `symmetry=1` is usefule for such small systems.
This is most likely due to non convergence. Can you present the screen output? I suggest to add `exx_seperate_loop=0` to change to the one-loop iteration with better convergence rate.
> > This is most likely due to non convergence. Can you present the screen output? I suggest to add `exx_seperate_loop=0` to change to the one-loop iteration with better convergence...