skued.electrostatic

skued.electrostatic(crystal, x, y, z)

Electrostatic potential from a crystal calculated on a real-space mesh, assuming an infinite crystal.

Parameters:

  • crystal (crystals.Crystal) –

  • x (~numpy.ndarray) – Real space coordinates mesh.

  • y (~numpy.ndarray) – Real space coordinates mesh.

  • z (~numpy.ndarray) – Real space coordinates mesh.

Returns:

potential – Linear superposition of atomic potential [V*Angs]

Return type:

~numpy.ndarray, dtype float

See also

pelectrostatic

projected electrostatic potential of an infinite crystal.