Overview
This section defines the high-throughput definitions for all the keywords for the following tasks:
- Installing FireWorks Dependency
- Setting up a high-throughput workflow
- qadapters
- K-Point Density Convergence
- Relaxation
- Phonon Calculations
- Monte Carlo Sampling
- Molecular Dynamics
- Conditional Workflows
At the moment only FHI-aims is supported for high-throughput calculations. It is possible to extend it to other calculators, but certain transitions between steps assume the calculator is for FHI-aims and those would have to change.