Special-coordinates-FAPI-MAPBr-mix.tar.bz2

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: *.vasp -> VASP POSCAR *.vesta : File for VESTA viewer. An updated version of this file is freely available as Supplementary Information at https://doi.org/10.1039/D1TA10860C