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Phonon Unfolding: A program for unfolding phonon dispersions of materials
classification
❄️ cond-mat.mtrl-sci
cond-mat.mes-hall
keywords
phononunfoldingdispersionsprogramatomicalgorithmalloysanalysis
read the original abstract
We present Phonon Unfolding, a Fortran90 program for unfolding phonon dispersions. It unfolds phonon dispersions by using a generalized projection algorithm, which can be used to any kind of atomic systems in principle. Thus our present program provides a very useful tool for the phonon dispersion and vibration mode analysis of surface reconstructions, atomic point defects, alloys and glasses.
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