ViPErLEED Supporting Information – LEED-I(V) Fe₂O₃(1-102)-(1×1)

LEED-IV_data_Fe2O3-1x1/ ├── edit_Fe2O3(1-102)-1x1.csv <-- Curve-Editor Edit file ├── EXPBEAMS_Fe2O3(1-102)-1x1.csv <-- Final extracted I(V) curves ├── IV_videos/ <-- Raw LEED-I(V) videos │ └── ... ├── pattern_file_Fe2O3(1-102)-(1x1).csv <-- Pattern file used by the Spot Tracker ├── raw_image_E=261.5.png <-- Representative snapshot LEED pattern ├── README.txt <-- This README file ├── Spot_Tracker-extraction/ <-- Spot-Tracker logs and results │ └── ... └── Spot_Tracker-mask_1x1.tif <-- Mask used by the Spot Tracker LEED-IV_calculation_Fe2O3-1x1/ ├── errors_summary/ <-- Uncertainties for fitted structure │ └── ... ├── history.info <-- List of calculations steps and notes ├── history/ <-- Intermediate inputs and outputs │ └── ... ├── Fe2O3_inputs/ <-- Initial inputs │ ├── POSCAR │ ├── PARAMETERS │ └── EXPBEAMS.csv ├── Fe2O3_converged/ <-- Final structure# │ ├── CONTCAR_relaxed │ ├── LEED_to_DFT_atom_numbers.txt │ ├── POSCAR_bestfit │ └── VIBROCC_bestfit └── README.txt <-- This README file