ASE GPAW Adapter (Subskill)
SkillProductivityConfigure ASE GPAW calculator adapter settings for ASE workflows. Use when ASE workflow tasks require GPAW backend setup including mode, k-point, convergence, and restart policies.
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 ASE GPAW Adapter (Subskill) skill
What this skill tells your AI
The instructions your AI receives, as published by jinzhezenggroup/computational-chemistry-agent-skills in atomistic-workflows/ase/ase-calculators/gpaw/SKILL.md and read by ahel’s review.
Scope
This adapter configures GPAW backend parameters for ASE workflows.
It should return calculator configuration, not workflow logic.
Must provide
- GPAW mode (
PW/LCAO/FD) - XC choice
- k-point policy
- convergence controls
Usually should be explicit
- occupation/smearing policy
- spin setup
- restart/checkpoint policy
Expected output
- calculator configuration payload
- backend assumptions and prerequisites
- unresolved backend choices
Signals
- GitHub stars
- 138
- Forks
- 26
- Last commit
- Sep 2026
Advanced
- Catalog kind
- skill
- Gateway key
gpaw-jinzhezenggroup- Source
- github.com/jinzhezenggroup/computational-chemistry-agent-skills