[QE-users] Stiffness Matrix

Elham Rezaee elham.rezaee at unb.ca
Mon Nov 20 21:15:41 CET 2023


Hello everyone,

I hope this message finds you well. I am currently engaged in a project where I aim to calculate the elastic properties of certain crystals using Quantum ESPRESSO (QE) and Density Functional Theory (DFT). My primary focus is on determining the stiffness, stress, and strain matrices for these crystals.

Given the complexity of this task, I am reaching out to seek recommendations on any reliable and comprehensive sources, guides, or tutorials that can assist me in this process. If anyone has experience in this area or knows of resources that could guide me through these calculations, I would greatly appreciate your input.


Thank you,

Elham
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