kraamesh57
commented
11 months ago Hi
I just discovered an incredible website for visualizing phonon vibrational modes. I believe the question you posted here serves the same purpose. If my understanding is correct, you can download the Python script from this link: https://github.com/henriquemiranda/phononwebsite/tree/gh-pages/scripts. You will need to use the SCF file and .modes files from the dynmat.x fillout file. I am going to try it myself, but I'm not certain if it will work. If I am successful, I will provide an update. You do not need to install the entire script to access the phonon website. You just need to complete the phonon calculation in Quantum Espresso, and if everything is correct, you can generate the JSON file for the phonon website. Regards Ramesh
Hi,
I am hoping to check the phonon displacement patterns from a quantum espresso calculation.
I have downloaded setup.py, or tried using "gh repo clone" to download the scripts. However, setup.py returns "error: package directory 'phononweb' does not exist". "gh repo clone henriquemiranda/phononwebsite" returns "GraphQL: Could not resolve to a Repository with the name 'henriquemiranda/phononwebsite'. (repository)".
Am I missing something here and what should I do to download the files?
Many thanks in advance!