The directory "energy_gap_time_series" contains
- .dat file with HOMO, LUMO and energy bandgap for superionic H2O with BCC oxygen structure
- .dat file with HOMO, LUMO and energy bandgap for superionic H2O with FCC oxygen structure
- a Python Jupyter Notebook showing the units and how Supplementary Figure 1 of the reference paper was obtained

The directory "heat_and_charge_fluxes_time_series" contains subdirectories for each of the simulations performed, containing the time series of the fluxes of 
- energy (*_J_E.dat) 
- electronic charge (*_J_electrons.dat)
- ionic charge (*_J_Z.dat)
The directory also contains the PDF file "thermocepstrum_GUI_minimal_guide.pdf", where details are given on how to analyse these time series via the GUI of the Thermocepstrum code. 

Finally, thermocepstrum.zip contains the version of the thermocesptrum + GUI code with which the *_thermocepstrum.npy files were saved.