# Band

> Prepare VASP band-structure workflow inputs from existing SCF context and user-specified band-path settings. Use when the user requests electronic band-structure calculations and needs explicit prerequisite checks, line-mode KPOINTS path setup, and stage-specific INCAR preparation.

- Skill: `jinzhezenggroup/band` (Agent Skill)
- Install (CLI): `npx skillmds@latest add jinzhezenggroup/band`
- Raw SKILL.md: https://api.skillmd.com/api/skills/jinzhezenggroup/band/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/band

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# VASP Band Preparation (Subskill)

## Scope

This skill prepares band-structure-stage input tasks only.

It should:

- verify prerequisite SCF context is available
- generate line-mode/high-symmetry-path `KPOINTS`
- prepare stage-appropriate INCAR settings
- report assumptions and unresolved choices

It should not submit or execute jobs.

## Prerequisites

Require explicit prior SCF context and a clear crystal/path convention for band calculation.

If prerequisites are missing, stop and ask for them.

## Must provide

- source SCF context path
- crystal/path convention (or explicit k-path)
- band intent and output expectations
- key electronic/smearing policy for the band stage

## Usually should be explicit

- line-mode path source and tolerance
- `ISMEAR` policy for band stage
- `LORBIT` and projection-related options when requested

## Expected output

1. band-stage task directory/input updates
1. generated line-mode `KPOINTS` summary
1. prerequisite check summary
1. settings summary and assumptions
1. handoff note to `dpdisp-submit` if execution is requested