# Static

> Prepare GPAW static SCF task inputs/scripts from a user-provided structure and essential DFT settings. Use when the user needs single-point total-energy/electronic calculations with explicit GPAW calculator settings and reproducible run script layout.

- Skill: `jinzhezenggroup/static` (Agent Skill)
- Install (CLI): `npx skillmds@latest add jinzhezenggroup/static`
- Raw SKILL.md: https://api.skillmd.com/api/skills/jinzhezenggroup/static/raw
- Safety review: pending
- Works with: Claude Code, Claude.ai, OpenAI Codex
- Category: Productivity
- License: LGPL-3.0-or-later
- Author: jinzhezenggroup (https://skillmd.com/u/jinzhezenggroup)
- Updated: 2026-09-17
- Page: https://skillmd.com/skills/jinzhezenggroup/static

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# GPAW Static SCF (Subskill)

## Scope

This skill prepares static SCF tasks only.

It should generate:

- structure input in backend-friendly format
- task Python script (ASE + GPAW setup)
- output/restart naming policy

It should not submit or execute jobs.

## Must provide

- structure input
- XC functional choice
- basis mode (`PW`/`LCAO`/`FD`) with key numerical settings
- k-point policy
- SCF convergence policy

## Usually should be explicit

- occupation/smearing settings
- spin mode (`spinpol`) and initial moments when relevant
- output checkpoints (for restart/post-processing)

## Expected output

1. static-task script/input layout
1. settings summary and assumptions
1. unresolved choices for user confirmation
1. handoff note to `dpdisp-submit` if execution is requested