Band

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
2. generated line-mode KPOINTS summary
3. prerequisite check summary
4. settings summary and assumptions
5. handoff note to dpdisp-submit if execution is requested