BornEffectiveCharge¶

class py4vasp.raw.BornEffectiveCharge(structure: Structure, charge_tensors: VaspData)¶

Bases: object

The Born effective charges resulting form a linear response calculation.

The Born effective charges describe how the polarization of a system changes with the position of the ions. Equivalently, an electric field induces forces on the ions. In general, the Born effective charges are matrices, i.e., the polarization and the displacement of the ion are not necessarily parallel.