Phonon Unfolding: A program for unfolding phonon dispersions of materials
Fawei Zheng, Ping Zhang
TL;DR
Phonon Unfolding is a Fortran90 program that enables the unfolding of phonon dispersions for various atomic systems, aiding analysis of surface reconstructions, defects, alloys, and glasses.
Contribution
It introduces a generalized projection algorithm for phonon dispersion unfolding applicable to diverse atomic systems.
Findings
Supports analysis of surface reconstructions and defects
Applicable to alloys and glasses
Provides a useful tool for phonon dispersion analysis
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.
Peer Reviews
No public reviews on file for this paper yet. If you reviewed it on a platform where reviews are public (OpenReview, ICLR, NeurIPS, ICML), you can paste yours below so the community can read it here.
Videos
No videos yet. Explain this paper in a talk, walkthrough, or lecture? Add one.