Section DIELEC_XAA_ANNULAR

• Parameters for creating x-axis-aligned annular dielectric region. Note that once such a region is defined, the 'background' dielectric constant would be the default (80.0), unless a different value is specified using the keyword IMPLICIT%DIELECTRIC%DIELECTRIC_CONSTANT.

• Section path: CP2K_INPUT / FORCE_EVAL / QMMM / PERIODIC / POISSON / IMPLICIT / DIELECTRIC / DIELEC_XAA_ANNULAR

• This section can be repeated.

• Subsections

  • none

• Keywords

  • BASE_CENTER
  • BASE_RADII
  • DIELECTRIC_CONSTANT
  • SMOOTHING_WIDTH
  • X_XTNT

• Keyword descriptions

  BASE_CENTER
  	BASE_CENTER {Real} {Real}
  	The y and z coordinates of the annulus' base center.
  	This keyword cannot be repeated and it expects precisely 2 reals.
  	Default unit: [angstrom]

  BASE_RADII
  	BASE_RADII {Real} {Real}
  	The base radius of the annulus.
  	This keyword cannot be repeated and it expects precisely 2 reals.
  	Default unit: [angstrom]

  DIELECTRIC_CONSTANT
  	DIELECTRIC_CONSTANT {Real}
  	value of the dielectric constant inside the region.
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 8.00000000E+001
  	Alias names for this keyword: EPSILON

  SMOOTHING_WIDTH
  	SMOOTHING_WIDTH {Real}
  	The width of the standard mollifier.
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.00000000E-001
  	Default unit: [angstrom]
  	Alias names for this keyword: ZETA

  X_XTNT
  	X_XTNT {Real} {Real}
  	The X extents of the annulus.
  	This keyword cannot be repeated and it expects precisely 2 reals.
  	Default unit: [angstrom]