This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.
- README.txt: Description of 'Figures_main', 'Figures_SI', 'prototypes', 'materials_displacements', 'materials_5atom_phonon' and 'pseudopotenials'
- Figures_main.zip: Contains directories with a brief README and the data to reproduce the figures in the main text, or directions to the relevant directory
- Figures_SI.zip: Contains directories with a brief README and the data to reproduce the figures in the supplemental, or directions to the relevant directory
- prototypes.zip: Contains the two prototypes of paraelectric BaTiO3 and a cif for a representation of each of the 27 distinct cubic microscopic templates of spacegroup 221 with occupied Wyckoff positions: 1a, 1b, 3c. In this representation BaTiO3 is used where Ba occupies the 1a, Ti the 1b, and O the 3c Wyckoff position in the high-symmetry phase.
- materials_displacements.zip: This directory contains the output of the pw.x relax calculations of the 4+4 and 2+6 displacement patterns with fixed lattice parameters.
- materials_5atom_phonons.zip: This directory contains the phonon calculations for the 5 atom cubic structures
- pseudopotentials.zip: contains the pseudopotentials used in the calculations