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

  • README: README file describe the content of the other files.
  • bulkAl_Fig2.aiida: AiiDA database for Fig 2
  • bulkAl_Fig3c.aiida: AiiDA database for Fig 3c
  • bulkAl_Fig4a.aiida: AiiDA database for Fig 4a
  • bulkAl_Fig4b.aiida: AiiDA database for Fig 4b
  • new_Fermi_energy_relax_Fig8.aiida: AiiDA database used for Fig 8
  • aiida_3dd_final_scf.aiida.zip: AiiDA database used for the high-throughput study
  • launch_plot_Figs2-3-4.ipynb: Jupyter notebook for Figs 2, 3, and 4
  • fermi_energy_3dd_M-P_Fig5a.ipynb: Jupyter notebook for Fig 5a
  • fermi_energy_3dd_Cold_Fig5b.ipynb: Jupyter notebook for Fig 5b
  • analysis_selected_structures_Fig8.ipynb: Jupyter notebook for Fig 8
  • fermi_energy_3dd_24842struct_SecIIIB.json: Parsed data in JSON format
  • analysis_selected_structure_HT3_Fig8.json: Parsed data in JSON format
  • QE_subs.zip: Fortran subroutine to compute the number of electrons