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

• Analysis_scripts.tar.gz: Python scripts used to plot figures and collect data from more than one AIMD run
• Bulk_calculations.tar.gz: Bulk calculations of Li(s), Cs(s) to obtain reference energies and of Cu(s) to obtain lattice constants for the Cu(100) slab.
• 2CO+30H2O-Cu100_k231.tar.gz: AIMD data for the 3×4Cu(100) interface with two adsorbed CO
• 2CO+30H2O-Cu100_k331.tar.gz: AIMD data for the 3×3Cu(100) interface with two adsorbed CO
• 2CO+Cs+30H2O-Cu100_k231.tar.gz: AIMD data for the (Cs⁺+e⁻)int+3×4Cu(100) interface with two adsorbed CO
• 2CO+Cs+30H2O-Cu100_k331.tar.gz: AIMD data for the (Cs⁺+e⁻)int+3×3Cu(100) interface with two adsorbed CO
• 2CO+2Cs+30H2O-Cu100_k231.tar.gz: AIMD data for the 2(Cs⁺+e⁻)int+3×4Cu(100) interface with two adsorbed CO
• 2CO+CsFix+30H2O-Cu100_k331.tar.gz: AIMD data for the (Cs⁺11Å+e⁻)int+3×3Cu(100) interface with two adsorbed CO
• 2CO+2Cs+OH+29H2O-Cu100_k331.tar.gz: AIMD data for the (Cs⁺+e⁻)int+CsOH+3×3Cu(100) interface with two adsorbed CO
• 2CO+Li+30H2O-Cu100_k331.tar.gz: AIMD data for the (Li⁺+e⁻)int+3×3Cu(100) interface with two adsorbed CO