dos · v0.1.0 · 2026-03-23 · sha256 143458dd8b5e81eb
dos v0.1.0A
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--- name: dos description: Prepare VASP DOS workflow inputs from existing SCF artifacts and user-specified DOS settings. Use when the user requests total/projected DOS setup and needs INCAR/KPOINTS preparation with explicit prerequisite checks against prior SCF runs. compatibility: Requires prerequisite SCF artifacts and valid VASP pseudopotential resources/license in the target environment. catalog-hidden: true license: LGPL-3.0-or-later metadata: author: qqgu version: 0.1.0 repository: https://vasp.at/ --- # VASP DOS Preparation (Subskill) ## Scope This skill prepares DOS-stage input tasks only. It should: - verify prerequisite SCF context is available - prepare DOS-specific INCAR/KPOINTS settings - report assumptions and unresolved choices It should not submit or execute jobs. ## Prerequisites Require explicit availability of prior SCF outputs as needed by the target workflow (for example charge density / wavefunction continuity expectations). If prerequisites are missing, stop and ask for them. ## Must provide - source SCF context path - DOS intent (`total DOS` or `projected DOS`) - energy-window / resolution expectations - smearing policy and key electronic settings ## Usually should be explicit - `NEDOS` - `LORBIT` - `ISMEAR` / `SIGMA` - k-point policy ## Expected output 1. DOS-stage task directory/input updates 1. prerequisite check summary 1. settings summary and assumptions 1. handoff note to `dpdisp-submit` if execution is requested