Section AA_CUBOIDAL

• Parameters for creating axis-aligned cuboidal Dirichlet regions.

• Section path: CP2K_INPUT / FORCE_EVAL / QMMM / PERIODIC / POISSON / IMPLICIT / DIRICHLET_BC / AA_CUBOIDAL

• This section can be repeated.

• Subsections

  • none

• Keywords

  • FREQUENCY
  • N_PRTN
  • OSCILLATING_FRACTION
  • PERIODIC_REGION
  • PHASE
  • SMOOTHING_WIDTH
  • V_D
  • X_XTNT
  • Y_XTNT
  • Z_XTNT

• Keyword descriptions

  FREQUENCY
  	FREQUENCY {Real}
  	The frequency with which the oscillating fraction oscillates.
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+000
  	Default unit: [s^-1]

  N_PRTN
  	N_PRTN {Integer} {Integer} {Integer}
  	The number of partitions in the x, y and z directions for partitioning the cuboid.
  	This keyword cannot be repeated and it expects precisely 3 integers.
  	Default values: 1 1 1

  OSCILLATING_FRACTION
  	OSCILLATING_FRACTION {Real}
  	A fraction of the field can be set to oscilate over time.
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+000

  PERIODIC_REGION
  	PERIODIC_REGION {Logical}
  	Whether or not to take into consideration the effects of the periodicity of the simulation cell (MIXED_PERIODIC bc) for regions defined sufficiently close to the boundaries.
  	This keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .FALSE.

  PHASE
  	PHASE {Real}
  	The phase of the oscillattion. A phase of zero corresponds to a cosine function.
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 0.00000000E+000

  SMOOTHING_WIDTH
  	SMOOTHING_WIDTH {Real}
  	The width of the transition region between the Dirichlet subdomain and its surrounding.
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 2.00000000E-001
  	Default unit: [angstrom]
  	Alias names for this keyword: SIGMA

  V_D
  	V_D {Real}
  	The value of the fixed potential to be imposed at the region.
  	This keyword cannot be repeated and it expects precisely one real.
  	Default unit: [volt]

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

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

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