A single DFT workflow may correspond to one calculation (e.g. a single-point energy calculation or geometry optimization) or may be a collection of related calculations (e.g. a geometry optimization followed by a vibrational frequency analysis to confirm that the optimized structure is a local minimum of the potential energy surface or PES). In either case, the metadata, input parameters, and results of the calculation(s) are parsed by atomate and stored in a MongoDB database in a single "task document" (represented in emmet-core as a TaskDocument object). Tasks/TaskDocuments are the most fundamental collections of data used to construct MPcules, corresponding almost directly to the parameters and raw outputs of DFT calculations.