Results
The exported snapshot is a portable view of the PseudoDojo QE SCF k-point campaign. The AiiDA group remains the authoritative calculation record.
Current snapshot
| Measure | Value |
|---|---|
| WorkChains | 127,921 |
| Structures | 16,208 |
| Ultra converged | 15,474 |
| Ultra rate | 95.47% |
| Median ultra kindex | 3 |
Snapshot date: 1 September 2026.
Download or inspect
| File | Use it for | Link |
|---|---|---|
source-summary.csv |
One convergence summary row per structure | Download |
workchain-records.parquet |
Calculation-level values behind the summary | Download |
snapshot-metadata.json |
Profile, AiiDA group, thresholds, timestamp, and counts | Inspect |
analysis.ipynb |
Aggregation, quality checks, and SSSP comparison | Inspect |
Provenance
The snapshot metadata identifies the profile and AiiDA group used for export. For the live PseudoDojo campaign, the group is:
Use the exported tables for analysis. Return to AiiDA when you need the original inputs, outputs, process state, or provenance graph.