Electrostatics-based finite-size corrections for first-principles point defect calculations

First-principles defect formation energy calculations can include errors up to several eV. Improving on a previous method for correcting these errors by Freysoldt et al (PRL 102, 016402), the authors obtain defect energies with errors less than 0.2 eV for 17 defects in 10 compounds; the method is widely applicable to a range of defects.