Related Article: Karel Škoch, Constantin G. Daniliuc, Marcel Müller, Stefan Grimme, Gerald Kehr, Gerhard Erker|2022|Chem.-Eur.J.|28||doi:10.1002/chem.202200248
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: