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Data · dataset · 2026

Reproducibility data for WannierNLQG: A Julia package for nonlinear optical responses and quantum geometry from Wannier tight-binding models

Listed in Teesside University Research Data Repository

Supporting reproducibility dataset for the manuscript "WannierNLQG: A Julia package for nonlinear optical responses and quantum geometry from Wannier tight-binding models".

Description

The archive contains the material-specific GeS and spin-orbit-coupled 2H-bilayer MoS2 tight-binding inputs; representative formal spectra and k-resolved outputs; numerical metadata; calculation and post-processing scripts; provenance, parameter mappings, validation records, and promotion receipts; rendered manuscript figures; and SHA-256 checksums.

Small API smoke-test outputs generated with the public WannierNLQG v1.0.0 release are included to verify archived paths and scripts. These smoke tests establish engineering executability only and do not constitute convergence, physics, or production qualification. Existing qualification labels in the archived provenance remain authoritative.

Links

Where it is published

Catalogue records · 1

Topics

Provenance · 1 source records, 7 field assertions
SourceKeyLast seenRaw
Teesside University Research Data Repositoryoai:data.mendeley.com/v2s2j336vh.118 h agoJSON v1
FieldAssertionExtractorEvidence
access_levelsource · researchdata tees ac ukconnector:researchdata_tees_ac_uk@1.0.0
concepts[field].local:field:earth-environmentalmapping · researchdata tees ac ukconnector:researchdata_tees_ac_uk@1.0.0
concepts[field].local:field:physicsmapping · researchdata tees ac ukconnector:researchdata_tees_ac_uk@1.0.0
descriptionsource · researchdata tees ac ukconnector:researchdata_tees_ac_uk@1.0.0/metadata/dc/description
licensesource · researchdata tees ac ukconnector:researchdata_tees_ac_uk@1.0.0/metadata/dc/rights
publication_datesource · researchdata tees ac ukconnector:researchdata_tees_ac_uk@1.0.0
titlesource · researchdata tees ac ukconnector:researchdata_tees_ac_uk@1.0.0/metadata/dc/title