gpaw

name	gpaw
description	Configure 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.
compatibility	Requires ASE, GPAW, and a runnable GPAW Python environment.
license	MIT
catalog-hidden	true
metadata	{"author":"qqgu","version":"0.1.0","repository":"https://gitlab.com/ase/ase"}

ASE GPAW Adapter (Subskill)

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

1. calculator configuration payload
2. backend assumptions and prerequisites
3. unresolved backend choices