This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

  • README.txt: README where the content of the AiiDA export files is explained in more detail, including the group names.
  • band_structures_QSHI_withoutSOC_MCarchive.aiida: The AiiDA export file containing the DFT band structures without spin-orbit coupling
  • band_structures_QSHI_withSOC_MCarchive.aiida: The AiiDA export file containing the DFT band structures with spin-orbit coupling
  • phonons_QSHI_MCarchive.aiida: The AiiDA export file containing the DFPT phonon dispersions for the QSHI candidates (except jacutingaite)
  • Pt4Hg2Se6_phonons.dat: The file containing the DFPT phonon dispersions for jacutingaite