Contains input files for all VASP DFT+U simulations conducted. Output 'OUTCAR' files also provided. In some cases, the charge density CHGCAR, AECCAR0 and AECCAR2 files are provided, which are used for Bader charge analysis

Input files for DefAP python code provided, which can be run to create brouwer and formation energy plots. DefAP takes the energies and other date calculated by VASP.

DefAP shows how the predicted defect chemistry of PuO2 changes with the U-parameter in the DFT+U method.