Dear users, I am trying to apply a finite electric field to a 3D bulk material using the `lelfield` tag, and I have a question about its compatibility with PAW pseudopotentials.
After going through the source code (bp_c_phase.f90), I see that support for Berry phase calculations is mentioned only for norm-conserving and ultrasoft pseudopotentials. However, I was able to run atomic position relaxation (with cell volume fixed) using PAW-LDA without any errors, and the final relaxed positions were quite close to those obtained using the ONCV pseudopotential. My question is: Is the use of PAW pseudopotentials with Berry phase finite electric field calculations (`lelfield = .true.`) officially supported or verified for reliability in QE? While the calculation runs and seems to yield physical results, I’d like to know whether the successful run indicates compatibility or whether it's an unsupported use that somehow just happens to proceed without error. Thank you! Best regards, Minsung An PhD student Carnegie Mellon University
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