dos

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
license	LGPL-3.0-or-later
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
2. prerequisite check summary
3. settings summary and assumptions
4. handoff note to dpdisp-submit if execution is requested