| 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.
