Reproducing low-scaling GW QP shifts

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Reproducing low-scaling GW QP shifts

#1 Post by bprobinson102 » Mon Sep 14, 2026 2:48 pm

Hello VASP team,

I am trying to reproduce Fig. 3(c) in the 2016 Liu et al. PRB for the low-scaling GW data; however, my QP corrections are both qualitatively and quantitatively different than what the figure in the paper shows. I have attached the IOs for the GW and preceding calculations, as well as a figure of my QP shifts. For clarify, my x-axis is the DFT eigenvalues offset by the Fermi energy and the QP shifts are defined as QP-e(zeros)-KS-energies. Furthermore, I tried to use as many of the same calculation parameters as I could. I would greatly appreciate it if you are able to help me figure out the source causing this discrepancy. Thank you for your time!

Brian

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