1- "dislocation_pure" contains the VASP scripts and results for calculation of the relaxed structure of the prism edge dislocation in pure Mg. 
        "step" folder corresponds to the structure with removed extra atom due to the presence of the edge dislocation. 

2- "Zn_edge_dislocation_dft" contains the VASP scripts and results for the calculation of the Zn/edge dislocation interaction energy.
        "row1" to "row5" corresponds to different planes above and below the slip planes where Zn is added. different sites were chosen in each row. 
        "perfect" is the perfect structure (no dislocation) with one Zn atom.
        "2_atom" is for the cases where an additionel solute is added for pinning the dislocation.
        "neigh" is the calculatons for Zn/Zn interaction energies, at different distances and directions from each other.