Published June 20, 2022 | Version v1
Preprint Open

Identifying the ground-state structures of point defects in solids

Authors/Creators

  • 1. University College London
  • 2. University College London, Imperial College London
  • 3. Imperial College London

Description

Defect structures found with an standard relaxation (named Unperturbed) and the ground state identified by our method (named Distorted). They are provided as CIF files or VASP POSCAR files.

All structures are provided as a compressed tar.gz file, which is organized as numbered directories based on the host crystal.

Files

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