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Published 20 hours ago • verified publisher icon jarvist

Project atomic displacement onto phonon modes

Open lucydot opened this issue 5 years ago • 3 comments

Hi Jarvist,

I'd like to assess which phonon modes contribute to a given atomic displacement. It should be relatively straight forward for JuliaPhonons to read in two POSCARs, calculate the atomic displacement, and project this displacement onto a set of phonon eigenvectors.

I'm happy to code this up and submit as a PR, if this is something you'd also find useful in JuliaPhonons?

lucydot avatar Nov 10 '18 08:11 lucydot