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

  • 1_upf_pseudopotential_files.zip: ZIP with pseudopotential files in UPF format (2 files).
  • 2_cif_files_converged.zip: ZIP with atomic structures in CIF format (22 files). Accuracy level: converged (see the reference). Jmol script embedded in CIF will color-code various surface reconstruction elements (pentamers, zigzags, adatoms, vacancy sites).
  • 3_cif_files_structure_scan_accuracy.zip: ZIP with atomic structures in CIF format (756 files). Accuracy level: structure scan (see the reference). For some files, Jmol script embedded in CIF will color-code surface pentamers and Ge(110) zigzags.