Allow for charge dispersion according to polaron size #15
Description
https://github.com/vpasumarthi/PyCT/blob/4a7a4c668b4f915e4751c348d780555973fa2a68/PyCT/core.py#L98
Currently, species charge is interpreted as a full point charge, while ions are point charges of full oxidation state value. Two developments are necessary.
- Allow ions to be represented by their partial oxidation states as obtained from Bader population analysis of undoped lattice structure.
- Allow species to be represented as polarons with a finite size, within which the charge is dispersed. Charge dispersion information is also need to be sourced from Bader population analysis of charge localized lattice structure.