API tutorial

• 1. Building a defect system
  • the DefectChargeState object
  • the DefectSpecies object
  • the DOS object
  • Putting it all together: the DefectSystem object
• 2. Misc. DefectSystem analysis
  • plot transition level diagrams
  • plot defect concentrations as a function of temperature
  • plot defect concentrations as a function of Fermi energy
• 3. Applying concentration constraints
  • fixing the concentrations of DefectSpecies
  • fixing the concentrations of DefectChargeStates
  • introducing an additional fixed concentration defect