start_phonons
Compute gamma-point phonon frequencies and detect imaginary modes to assess structural stability using finite-displacement method.
Instructions
Start a phonon (finite-displacement) calculation in the background.
Runs 1 + 6*natoms force evaluations; poll get_status for progress (done/total, fraction). When done, get_results returns gamma-point frequencies (THz), the count of imaginary modes, and a 'stable' flag. supercell defaults to [2,2,2].
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| structure_id | Yes | ||
| calculator_id | Yes | ||
| supercell | No | ||
| delta | No | ||
| step_delay | No |