PLANAR_COUNTER_CHARGE

References: Chai2024

Define the parameters for the planar counter charge density [Edit on GitHub]

Keywords

Keyword descriptions

SECTION_PARAMETERS: logical = F

Lone keyword: T

Usage: &PLANAR_COUNTER_CHARGE ON

Controls the activation of the planar counter charge section [Edit on GitHub]

DIST_EDGE: real = [angstrom]

Usage: DIST_EDGE 1.0

Controls the distance between the center of the Gaussian and the cell boundary [Edit on GitHub]

GAU_C: real = [angstrom]

Usage: GAU_C 0.1

Controls the spread of the Gaussian distribution [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]