[QE-users] Request for Guidance on Calculating Piezoelectric Tensors Using Quantum ESPRESSO
T N Kulawardena
stu215751 at student.ichemc.edu.lk
Wed Aug 6 11:51:18 CEST 2025
Hi all,
I am interested in computationally calculating piezoelectric tensors and
coefficients using Quantum ESPRESSO and would greatly appreciate your
guidance. Could you kindly provide a step-by-step outline of the
methodology for these calculations? Specifically, I am looking for details
on:
1. The workflow for calculating the piezoelectric tensor, including
necessary modules (e.g., PHonon, Berry phase) or additional tools.
2. Any post-processing steps or scripts used to extract and analyze the
piezoelectric coefficients, especially strain coefficients.
Thank you for your time and consideration.
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