ABINIT Electronic Analysis (Subskill)
SkillProductivityPrepare CP2K electronic-analysis task inputs from prior converged context. Use when the user requests post-ground-state electronic analyses and needs prerequisite-aware setup.
Available today. Use it from your connected AI after setup.
No other account needed.
Connect ahel once, and every AI you use reads what you have installed.
Then ask your AI: use the ABINIT Electronic Analysis (Subskill) skill
What this skill tells your AI
The instructions your AI receives, as published by jinzhezenggroup/computational-chemistry-agent-skills in quantum-chemistry/dft-cp2k/electronic/SKILL.md and read by ahel’s review.
Scope
This skill prepares post-ground-state electronic-analysis tasks.
It should:
- verify prerequisite converged context
- prepare analysis-specific input controls
- report assumptions and unresolved choices
It should not submit or execute jobs.
Prerequisites
Require explicit prior converged context compatible with requested analysis.
If prerequisites are missing, stop and ask for them.
Must provide
- source context path
- analysis intent (for example DOS/PDOS/band-like workflow)
- mesh/path/resolution policy as applicable
Usually should be explicit
- projection settings
- broadening/plotting policy
- export format expectations
Expected output
- analysis-stage input updates
- prerequisite check summary
- settings summary and assumptions
- handoff note to
dpdisp-submitif execution is requested
Signals
- GitHub stars
- 138
- Forks
- 26
- Last commit
- Sep 2026
Advanced
- Catalog kind
- skill
- Gateway key
electronic- Source
- github.com/jinzhezenggroup/computational-chemistry-agent-skills