incar-validator

name	incar-validator
description	Validate VASP inputs before running: check INCAR consistency, stage-to-stage comparability, KSPACING versus KPOINTS conflicts, POSCAR/POTCAR element order, and common tag mistakes. Use before run-vasp or when a workflow edits INCAR files.

INCAR Validator

Use this skill as the final pre-run gate after a workflow-* skill and any incar-* modifiers have prepared inputs.

Scope

Validate text inputs and workflow consistency. Do not run VASP. Do not change scientific choices unless the active workflow or user explicitly allows it.

Checks

• POSCAR element order matches POTCAR order and any per-element tags such as MAGMOM, LDAUL, LDAUU, and LDAUJ.
• KSPACING policy is not accidentally overridden by a stale KPOINTS file.
• Restart tags are coherent with existing files: ISTART, ICHARG, LWAVE, LCHARG, WAVECAR, and CHGCAR.
• Multi-stage workflows keep critical settings consistent across directories: ENCUT, k-point policy, POTCAR family, ISPIN, LDAU*, hybrid/GW tags, and smearing strategy.
• Relax workflows do not accidentally use static-only settings such as NSW=0 unless intentionally performing static SCF.
• Static, EOS, convergence, DOS, and band workflows do not accidentally relax ions unless intended.
• GPU/CPU performance tags are consistent with incar-performance and do not carry stale NCORE, NPAR, or excessive KPAR.

Output

Report one of:

• pass: inputs are internally consistent.
• warn: inputs are runnable but have assumptions or possible accuracy issues.
• fail: do not call run-vasp until the listed conflicts are fixed.

For each fail, name the file and exact tag or missing artifact. Prefer minimal fixes over rewriting the whole INCAR.