This task is a reimplementation of pymatgen's MITRelaxSet.
Runs a VASP geometry optimization using MIT Project settings, where the MIT Project is the precursor to the Materials Project.
From their documention in pymatgen:
Default VASP settings for calculations in the pre-cursor MIT project to
the Materials Project. Reasonably robust, but selected PSP are generally the
ones with fewer electrons and convergence criteria is less tight. This was
used in an era whether computational power is more limited.
Nevertheless, this is still a good starting point for extremely expensive
methods.
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 |
