henriquemiranda / phononwebsite

Visualise lattice vibrations
http://henriquemiranda.github.io/phononwebsite/
BSD 3-Clause "New" or "Revised" License
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Improvement on the export displacement #11

Closed henriquemiranda closed 5 years ago

henriquemiranda commented 6 years ago

The user can click on any point and generate a POSCAR or a .xsf file with the supercell selected in the visualization displaced according to the phonon mode. In principle, the supercell should be chosen automatically to be commensurate with the selected phonon mode. The algorithm is described in the literature and already implemented in many open-source codes, one just needs to translate it to javascript and make it usable from the interface.