dft-vasp

Routing VASP DFT tasks automatically involves dispatching user requests to specialized subskills based on intent. This skill supports static, relax, dos, and band workflows, returning a handoff-ready task directory for each.

Preparing VASP input files for a density of states calculation requires specifying your dos intent. This skill routes the request directly to the dft-vasp/dos subskill to handle the specialized input preparation and return a task directory.

Yes, you can manage both VASP job types. This skill routes single-point SCF requests to dft-vasp/static and geometry optimization requests to dft-vasp/relax, enforcing shared prerequisites and consistent handoffs for both workflows.

No, the VASP routing skill does not handle job submission directly. It orchestrates task routing and input preparation, enforcing a consistent handoff to dpdisp-submit when execution is requested by the user.

Your VASP band structure request needs a specialized subskill because this orchestration skill does not own detailed input generation logic. It delegates band-structure requests to dft-vasp/band to ensure accurate task preparation and consistent routing.

You need a VASP task orchestration skill when managing mixed DFT intents like relax or dos. It eliminates manual selection by routing requests to the correct subskill and enforcing shared prerequisites and consistent handoffs to submission tools.