Welcome to Spinney’s documentation!

Contents:

• The Spinney package
• Installation
  • Setup
  • Requirements
• Case Study: Mg-doped GaN
  • Step 1. Defining the values of chemical potentials
  • Step 2. Set up the directory with the data about the defective system
  • Step 3. Calculate defect formation energies
  • Step 4. Calculate charge transition levels
  • Step 4. Calculate defect concentrations
• Tutorial
  • The defect formation energy in the supercell approach
  • Correction schemes for electrostatic finite-size effects
  • Thermodynamic limits for the chemical potentials
  • Charge Transition Levels
  • Equilibrium defect concentrations in the dilute limit
• Release Notes
  • Version 0.9.a1
  • Version 0.9.a1
  • Version 0.9.a0
  • Version 0.8.a3
  • Version 0.8.a2
  • Version 0.8.a1
  • Version 0.8.a0
  • Version 0.7.a5
• API reference
  • General high-level interface for point-defect calculations
  • Determination of the possible values of equilibrium chemical potentials
  • Correction schemes for electrostatic finite-size effects in supercells
  • Calculation of equilibrium defect properties
  • General-purpose tools
  • Support for first-principles codes
• Bibliography
• Contact
  • E-mail
  • Gitlab