AMSET Si transport worked example

1. Work in a newly extracted directory and an allocated CPU environment.
2. bash run.sh
3. New raw outputs: work/CASE; tables: results/transport.csv, results/SUMMARY.json; four curated figures: figures/; four native AMSET plots: native-plots/.

Input electronic structure is actual previously calculated Si PBE/PAW64:550eV,EDIFF1e-6,11x11x11 uniform k mesh. ADP scattering only; no new DFT is automatically run. POTCAR/WAVECAR are not distributed. Deformation/wavefunction coefficients are provided. inputs/ contains the four actual VASP input/output sets and submission scripts; those scripts require your own legal POTCAR and intentionally run only when you explicitly submit them.

To recreate coefficients from your own rerun of this reference, put your WAVECAR in inputs/si-bulk and run bash recreate-inputs.sh. New h5 files are written under recreated and compared to the supplied reference; inputs are preserved. For a different material use a separate directory and the native commands in the online tutorial, replacing all relevant material data.

Actual electron/hole carrier/temperature sweep, interpolation5/10/20, and unity-overlap diagnostic are controlled by PLAN.json. All runs use2CPUworkers. Original DFT mesh and all scattering channels are not claimed converged/complete. The10to20 interpolation change is still about3to4percent.

reference/ stores this teaching reference; previous-results/ retains the earlier5/10 tables. Two CPU execution environments differed by about1percent while repeats on each tested environment agreed. Default analyze.py reports reference differences; python analyze.py --strict-reference explicitly requires agreement at5e-7relative tolerance. A difference to the reference alone is not a physical validity verdict.

AMSET0.5.1 plotting calls the removed matplotlib.cm.get_cmap API. plot-native.sh opts only its plotting subprocesses into plot-compat/sitecustomize.py, adapting to matplotlib.colormaps. No installed software is changed and no transport/scattering calculation loads this adapter.

The public walkthrough explains concentrations in cm^-3, mobility cm^2/(Vs), conductivity S/m, Seebeck microV/K, thermal conductivity W/(mK), and scattering lifetime statistics.
