Solute interactions with the (10-11) twinning edge dislocation

DFT-optimized core structures of the (10-11) twinning edge dislocation with an Al or Ca solute at different sites in the core. The dataset include the VASP input files (except POTCAR) and output files OSZICAR and OUTCAR. There are also text files containing the DFT-computed interaction energies between the dislocation and the solutes at the different sites, and scripts that compute these energies from the raw DFT output.