[QE-users] Stiffness Matrix

[Nicola Marzari]

Sure - exercise 3 of this tutorial:

<https://www.materialscloud.org/learn/sections/VNL7RL/a-gentle-introduction-to-dft-calculations-april-2020>
Materials Cloud<https://www.materialscloud.org/learn/sections/VNL7RL/a-gentle-introduction-to-dft-calculations-april-2020>
materialscloud.org<https://www.materialscloud.org/learn/sections/VNL7RL/a-gentle-introduction-to-dft-calculations-april-2020>
        [favicon.ico] <https://www.materialscloud.org/learn/sections/VNL7RL/a-gentle-introduction-to-dft-calculations-april-2020>


Please sign with your affiliation…

Nicola

Sent from a tiny keyboard... Contact info:
http://theossrv1.epfl.ch/Main/Contact

On 20 Nov 2023, at 21:16, Elham Rezaee <elham.rezaee at unb.ca> wrote:



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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