Phonon Unfolding: A program for unfolding phonon dispersions of materials

Published: 10 March 2017| Version 1 | DOI: 10.17632/3hpx6zmxhg.1
Fawei Zheng,
Ping Zhang


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.