Coordinates of special configurations that have HOMO and LUMO most close to the the VBM and CBM of the average DOS. These confgurations were used to compute the DOS and dielectric functions. Formats:
Related Article: Rosaria Bruno, Nadia Marino, Joan Cano, Alejandro Pascual Alvarez, Abdeslem Ben Tama, Francesc Lloret, Miguel Julve, Giovanni De Munno|2020|Cryst.Growth Des.|20|6478|doi:10.1021/acs.c