Data for the article: Chlorine activated stacking fault removal mechanism in thin film CdTe solar cells: the missing piece

<div>Input VASP files for all the data reported in Nature Communications. <div>INCAR and POSCAR files for:</div><div>1) 0 Cl GB structures with and without stacking faults and input files required for NEB.</div>2) Structures and input files which generate table 1 showing SF removal energy change with increasing Cl concentration.<br></div><div>3) 14 Cl GB structures from figure 7 and input files required for NEB.</div><div>4) Structures and input files required to generate DOS and ParCHG structures from figure 8 and 9.</div><div>5) DOS plotting program</div><div><br></div><div>Added prefix to title on 06/09/2021.</div><div><br></div>