Re: [QE-users] HP.x does not produce Chi files if computing Q-points separately

2024-06-14 Thread Matteo Cococcioni
Dear Chris, before calling hp.x with compute_hp = .true., you have to run it with sum_pertq = .true.. This step is exactly what allows the code to build the chis from summing over the response at specific q-points. Here is the excerpt from INPUT_HP: sum_pertq LOGICAL *Default:* .false. *See:*

[QE-users] HP.x does not produce Chi files if computing Q-points separately

2024-06-13 Thread O'Brien, Christopher John via users
QE Users & Devs, I am attempting to use the linear-response calculation of U values (hp.x). This operation can take a lot of time, so much that my job times out before it finished. I’ve attempted to divide the job into q-points using the `start_q` and `last_q` options. However, when I do this,