Python scripts for building alkali-metal polysulfide (Li2Sx / Na2Sx / K2Sx / S8) adsorption structures on 2D surfaces. Then running vasp calculations. And pulling ground state energy and thermodynamic corrections out of VASP output, and computing/plotting the absorption and Gibbs free energies of adsorbed polysulfides on surface for given reactions (Reaction.in & Reaction1.in).
