SOC-Gated Boundary-Layer Spectral Weight in a Single-Septuple-Layer MnBi2Te4 Slab: A Reproducible Quantum ESPRESSO Diagnostic

This record contains a fully reproducible Quantum ESPRESSO workflow (designed to run in Colab) that demonstrates a robust SOC-gated boundary-channel proxy in MnBi2Te4 septuple-layer slabs. The pipeline constructs a slab geometry, runs paired SOC-on and SOC-off calculations under matched numerical settings, and extracts surface-projected spectral weight near the Fermi level via standard post-processing. A simple scalar metric (“Tic‑Tac”) summarizes whether boundary spectral weight is activated by SOC and remains stable under basic robustness checks (energy-window sweep and k-mesh refinement). The package is intended as a practical screening diagnostic for SOC-sensitive boundary states in layered materials, and as a template for extending to thicker slabs, alternative terminations, and more rigorous invariant calculations when computational resources allow.