Output parameters

aiida-supercell parses the output log of Supercell and stores (almost) all data in output_parameters Dict.

../_images/output_parameters.png

A sample represenation of output_parameters.


We use pymatgen to analyze the space group of each structure and these info are also stored in the dictionary.

Note Symmetry analysis is done only if we sample a handful of structures. In the case of save_as_archive, it is not being performed.