abacus-librpa-debug

Category: 数据与AI | Uploader: AroundPeking | Downloads: 0 | Version: v1.0（Latest）

Diagnose ABACUS + LibRPA RPA/GW failures from logs and inputs. Use when runs fail, outputs are inconsistent, or there are parser/read errors such as stod issues.

Changelog: Source: GitHub https://github.com/AroundPeking/oh-my-LibRPA

Directory Structure

Current level: skills/abacus-librpa-debug/

📄 SKILL.md 848 B

SKILL.md

---
name: abacus-librpa-debug
description: Diagnose ABACUS + LibRPA RPA/GW failures from logs and inputs. Use when runs fail, outputs are inconsistent, or there are parser/read errors such as stod issues.
---

# ABACUS + LibRPA Debug

Locate the failing stage first, then provide targeted fixes. Avoid broad blind modifications.

## Diagnosis Order

1. Identify failure stage: SCF / DF / NSCF / LibRPA.
2. Check whether inputs are mixed from different workflow chains.
3. Check stale-output contamination from previous runs.
4. Check missing or conflicting threshold parameters.

## Common Issues

- `stod` parse/read failure: check input formatting and stale files first.
- abnormal result jumps: check `nbands` against basis-size conventions.

## Output Format

- `symptom`
- `most_likely_root_cause`
- `minimal_fix_action`
- `validation_action`

Comments 0

Latest | Hot

Please login before commenting.

No comments yet. Be the first one!

abacus-librpa-debug

Directory Structure

SKILL.md

Report

Notice