A generalised tool for sensitivity analysis of defect equilibria
The tool goes through a series of steps to conduct a sensitivity analysis for a desired parameter:
- A datafile of the defect equilibria data at each parameter increment is populated
- The datafile is parsed and a plot of the defect equilibria at each increment is generated
- The individual plots are stitched together to create a visualisation of a parameter sweep (ParaSweep!)
Example output:
In the above example, system temperature was chosen as the parameter to sweep across (500 < T < 2000). The sweeping parameter can, however, be any one of the inputs to the data generation script.
For example, the band gap of an insulating material:
