Runs a rough VASP geometry optimization.
Quality 02 indicates that on a scale from 00 to 04, these are ranked 02 in
quality (with 04 being the highest quality).
Typically, you'd only want to run this relaxation on structures that were randomly created (and thus likely very unreasonable). More precise relaxations should be done afterwards. Therefore, instead of using this calculation, we recommend only using the relaxation/staged workflow, which uses this calculation as a third step.
Read through our our parameter documentation for more information.
Filter mix-ins: ['Structure', 'Thermodynamics', 'Calculation']
Extra filters: ['volume_change__range', 'band_gap', 'band_gap__range', 'is_gap_direct', 'energy_fermi__range', 'conduction_band_minimum__range', 'valence_band_maximum__range']
| Prefect Name | Prefect State | Simmate ID | Full Formula | Spacegroup |
|---|---|---|---|---|
| -- | -- | 1 | Ga2 P2 H8 N2 O10 | 11 |
