This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.
- README.txt: README file containing a description of all files in this record.
- atomic_coordinates.zip: Atomic coordinates of MgO (pristine, hole polaron, oxygen vacancy) and water
- code.zip: Python script for the calculation of finite-size corrections
- input_files.zip: Input files for electronic optimization, structural optimization, calculation of dielectric constants in MgO