Phonon Unfolding: A program for unfolding phonon dispersions of materials
arXiv:1602.07030 · doi:10.1016/j.cpc.2016.09.005
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.
7 pages, 3 figures. arXiv admin note: text overlap with arXiv:1403.0634
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