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Data · dataset · 2017

Phonon Unfolding: A program for unfolding phonon dispersions of materials

Listed in Teesside University Research Data Repository

We present Phonon Unfolding, a Fortran90 program for unfolding phonon dispersions.

Description

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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