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Example: Defect formation energy of CdIn2S4 using pyDEF2 code (Stoliaroff, A.; Jobic S.; Latouche, C. PyDEF 2.0: An easy to use Post-treatment Software for Publishable Charts featuring a Graphical User Interface. Journal of Computational Chemistry 2018, DOI 10.1002/jcc.25543)

The files named CdIn2S4_bulk, CdIn2S4_S0, CdIn2S4_S1+, and CdIn2S4_S2+ contains INCAR, POSCAR and KPOINT files for bulk, neutral S defect, 1+ charged defect, 2+ charged defect respectively.

POTCARs are not given here.

CdIn2S4_epsilon file contains the input files and OUTCAR for the calculation of epsilon (both electrical and lattice part)

CdIn2S4_mp_ratio file contains the input files and OUTCAR to get Makov-payne ratio (Ewald energy). (for derails PyDEF1 manual can be followed)