Reproducibility package for “Tensorial real-space IFC-kernel operators for anisotropic acoustic curvature in mmm and 4/mmm crystals”
Description
This record contains the complete reproducibility package (version 1.6) for the study “Tensorial real-space IFC-kernel operators for anisotropic acoustic curvature in mmm and 4/mmm crystals.” The archive includes 49 canonical executable Python sources, 49 frozen analysis-output or auxiliary-data archives, figure-generation sources, final figures in PDF and PNG formats, software-environment and dependency documentation, provenance tables, an integrity report, and a SHA-256 manifest. The scientific scope concerns the complete symmetry-covariant degree-4 short-range q^4 coefficient operator in the tested centrosymmetric mmm and 4/mmm crystal cohorts. The leading dipole–dipole non-analytic response is retained as a separate channel. The assembled total channel should not be interpreted as either a complete multipolar model or a single-Hamiltonian calculation. Large public raw input corpora are not redistributed. The archive instead provides source identifiers, retrieval and extraction programs, derived tables, and detailed execution instructions. The reproduction order and authoritative source–output correspondences are documented in README.md and provenance/analysis_dependency_table.csv. The manuscript and Supplementary Information are distributed through the journal submission and publication record rather than duplicated in this archive.
Files
Steps to reproduce
Complete instructions for reproducing the analyses and figures, including software requirements, directory structure, execution order, expected outputs, and integrity checks, are provided in the README.md file included with this dataset. Download all files to the same directory and follow the instructions in the README.md.