PLANAR_AVERAGED_V_HARTREE

Define the parameters for calculating and printing the planar averaged electrostatic potential (Hartree potential) for symmetric slab systems [Edit on GitHub]

Keywords

Keyword descriptions

SECTION_PARAMETERS: logical = F

Lone keyword: T

Usage: &PLANAR_AVERAGED_V_HARTREE ON

Controls the activation of the planar averaged electrostatic potential (Hartree potential) section [Edit on GitHub]

PARALLEL_PLANE: enum = XY

Usage: PARALLEL_PLANE XY

Valid values:

  • XY Parallel to XY

  • YZ Parallel to YZ

  • XZ Parallel to XZ

The coordinate plane that the surface is parallel to. [Edit on GitHub]