[QE-users] Dielectric function calculation without phonons

[Driesse, Mathias]

Dear QE users,
I am trying to calculate the optical properties of a material using the simple package as a part of GWW. As it is an insulator, I am using simple_bse, which requires a GW calculation. An example is included in GWW/examples/example05. However, this example terminates with an error for me when running head.x:
     Error in routine initialize_grid_variables (1):
     problems reading u
I can solve this problem by running a phonon calculation beforehand using ph.x in a small system like bulk silicon; however, the real system I wish to investigate is far too large for phonons to be calculated in a reasonable amount of time. The curious thing is that the example omits an input file for a phonon calculation, and this tutorial found on the quantum espresso webpage does not include phonon calculations either: https://www.quantum-espresso.org/wp-content/uploads/2022/03/tutorial_gwl.pdf (slide 21 in particular). Is there a solution to this error that does not involve calculating phonons? Am I doing something wrong with the example?

I am using QE version 6.8. My input files are attached.

Best wishes,
Mathias Driesse
California Institute of Technology
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