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arXiv · 1602.07030

Phonon Unfolding: A program for unfolding phonon dispersions of materials

Fawei Zheng·Ping Zhang
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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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Fawei Zheng, Ping Zhang. 2016-02-23. Phonon Unfolding: A program for unfolding phonon dispersions of materials. https://doi.org/10.1016/j.cpc.2016.09.005

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