Scripts and data for "A flat-band perspective on the boson peak in amorphous solids"

This repository provides the datasets and scripts generated in this work to reproduce the numerical results and figures presented in the manuscript. The repository includes: Averaged transverse and longitudinal dynamic structure factors Data corresponding to Figures 4, 5, 6, and 14 Scripts required to regenerate the reported plots LAMMPS input files used to generate the simulated systems 1. System Generation (LAMMPS) The systems were generated using LAMMPS. For 2D LJ-like systems, run LAMMPS script in.rc-1.5-2d. For 3D LJ-like system, run in.rc-1.5. Prerequisite: LAMMPS must be compiled with the custom interaction potential defined in pair_lj_cut_vr.cpp and pair_lj_cut_vr.h Simulations were executed on a computing cluster using submit.sh. This script can be adapted for other cluster environments. 2. Simulation Output LAMMPS generates: A dump file containing particle positions in the inherent state A forces file containing pairwise force components From the positional and force data: The Hessian matrix is constructed. Diagonalization yields eigenvalues and eigenmodes. These eigenmodes are used to compute the transverse and longitudinal components of the dynamic structure factor. Structure factors were averaged over independent samples to reduce statistical noise. The averaged data of dynamic strcuture factors (DSF) are included in this repository. 3. Figure Reproducibility Running python code dsfMerged.py reproduces Figure 4, demonstrating the emergence of the flat band. The experimental dataset corresponding to the dynamic structure factor shown in Figures 5 and 6 is provided in data-Fig5AndFig6.txt file. The intensity of the flat band (Fig 14) can be plotted by running gnuplot FigFlatBandIntensity.plg for transverse component. For ratio of inetnsities corresponding to transverse to longitudinal components, run: gnuplot FigFlatBandIntensityRatios.plg