v0.2.0 to v0.2.0

---

name: dft-vasp

description: Route VASP DFT requests to task-specific subskills based on user intent. Use when the user asks for VASP workflows and you must decide between static SCF, relaxation, DOS, or band-structure task preparation. This orchestration skill does not own detailed input generation logic; it dispatches to the correct VASP subskill and enforces consistent handoff to submission skills.

compatibility: Requires a user-provided structure and valid VASP pseudopotential resources/license in the target environment.

metadata:

author: qqgu

version: 0.2.0

repository: https://vasp.at/

---

# VASP Task Router

Use this skill as the **top-level VASP orchestration layer**.

## Purpose

This skill routes the request to one task-specific VASP subskill path:

- `dft-vasp/static`

- `dft-vasp/relax`

- `dft-vasp/dos`

- `dft-vasp/band`

## Scope

This router skill should:

- require a user-provided structure or prerequisite run artifacts

- classify user intent into one VASP task type

- collect only minimal shared context before dispatch

- delegate detailed parameter handling to the selected subskill

- enforce consistent output/handoff policy across subskills

This router skill should **not**:

- own full INCAR/KPOINTS templates for all tasks

- execute or submit calculations

- bypass task-specific guardrails

## Hard requirement

The user must provide enough starting context:

- structure input for `static` / `relax`

- prerequisite SCF artifacts for `dos` / `band` when required

If prerequisites are missing, stop and ask for them.

## Routing rules

1. If user requests single-point energy/electronic SCF: route to `dft-vasp/static`.

1. If user requests geometry optimization: route to `dft-vasp/relax`.

1. If user requests density of states workflow: route to `dft-vasp/dos`.

1. If user requests band-structure workflow: route to `dft-vasp/band`.

1. If intent is ambiguous, ask one focused clarification question before routing.

## Shared policy for all subskills

- do not invent pseudopotentials

- expose assumptions explicitly

- report unresolved scientific choices

- return handoff-ready task directory

- if execution is requested, hand off to `dpdisp-submit`

## Output from router

Provide:

1. selected subskill name

1. why it was selected

1. minimal required inputs still missing (if any)

1. explicit next step (invoke selected subskill)