ABINIT Static (Subskill)
Scope
This skill prepares static tasks only.
It should generate:
- ABINIT input for static SCF
- pseudopotential mapping summary
- output/restart naming policy
It should not submit or execute jobs.
Must provide
- structure input
- XC functional choice
- cutoff and k-point policy
- SCF convergence policy
Usually should be explicit
- charge/spin setup
- smearing/occupancy policy for metallic systems
- mixing/iteration controls
Expected output
- static-task input layout
- settings summary and assumptions
- unresolved choices for confirmation
- handoff note to
dpdisp-submitif execution is requested