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 <[email protected]> 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 _______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
