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 DOSorprojected DOS) - energy-window / resolution expectations
- smearing policy and key electronic settings
Usually should be explicit
NEDOSLORBITISMEAR/SIGMA- k-point policy
Expected output
- DOS-stage task directory/input updates
- prerequisite check summary
- settings summary and assumptions
- handoff note to
dpdisp-submitif execution is requested