v0.1.0 to v0.1.0

---

name: dos

description: Prepare GPAW DOS workflow scripts from existing ground-state context and user-specified DOS settings. Use when the user requests total/projected DOS setup with explicit prerequisite checks against prior converged calculations.

compatibility: Requires prerequisite ground-state context and runnable GPAW+ASE Python environment.

catalog-hidden: true

metadata:

author: qqgu

version: 0.1.0

repository: https://gitlab.com/gpaw/gpaw

---

# GPAW DOS Preparation (Subskill)

## Scope

This skill prepares DOS-stage tasks only.

It should:

- verify prerequisite ground-state context

- prepare DOS script/settings

- report assumptions and unresolved choices

It should not submit or execute jobs.

## Prerequisites

Require explicit prior converged ground-state context (restart/checkpoint and compatible settings).

If prerequisites are missing, stop and ask for them.

## Must provide

- source ground-state context path

- DOS intent (`total` or `projected`)

- energy-window / broadening policy

- k-point/density policy for DOS stage

## Usually should be explicit

- projection channel choices

- smearing/broadening parameters

- output grid resolution

## Expected output

1. DOS-stage script/input updates

1. prerequisite check summary

1. settings summary and assumptions

1. handoff note to `dpdisp-submit` if execution is requested