phononwebsite
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henriquemiranda
Visualise lattice vibrations
Hello! Thank you for providing such a great website! Is it possible to export a POSCAR file? I see you mentioned this function before. Thank you very much!
Thank you very much for this amazing website! There seems to be a size issue for large structures / yamls / many eigenvectors when uploading custom band.yamls, e.g., if the...
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,...
if ibrav =0 ,when i use the scripts, it report that ValueError: Coordinate format (crystal) in input file not known,how to resolve it [MoNbB4.txt](https://github.com/henriquemiranda/phononwebsite/files/10729629/MoNbB4.txt)
Thanks for addressing the unit cell display so quickly. I have been using your website/code to look at some phonon modes at the gamma point for molecular systems and came...
Right now, we can only click a point in the phonon band structure plot. This method is not very good when modes are degenerate. Is it possible to choose a...
Add an advanced menu with different options to fine tune the visualization. 1. Change the colours of atomic species 2. Change the colours or sizes of the arrows 3. Change...
The re-scaling of the eigenvectors with the sqrt of the masses for phonopy should be done in the phonopy interface only. The interfaces should try to read the masses from...