Back to the main page of this manual  Input reference of CP2K version 2022.1 (Development Version) 
CP2K_INPUT /
FORCE_EVAL /
QMMM /
PERIODIC /
POISSON /
IMPLICIT /
DIRICHLET_BC /
AA_PLANAR
FREQUENCY {Real} 

The frequency with which the oscillating fraction oscillates. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one real.  
Default value:
0.00000000E+000 

Default unit:
[s^1]

INTERCEPT {Real} 

The intercept of the rectangle's plane. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one real.  
Default unit:
[angstrom]

N_PRTN {Integer} {Integer} 

The number of partitions in the directions of the unit vectors generating the corresponding PARALLEL_PLANE (e1, e2 or e3) for tiling the rectangluar region. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely 2 integers.  
Default values:
1 1 
OSCILLATING_FRACTION {Real} 

A fraction of the field can be set to oscilate over time. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one real.  
Default value:
0.00000000E+000 
PARALLEL_PLANE {Keyword} 

The coordinate plane that the region is parallel to. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one keyword.  
List of valid keywords:

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. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one logical.  
The lone keyword behaves as a switch to
.TRUE. 

Default value:
.FALSE. 
PHASE {Real} 

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

The width of the transition region between the Dirichlet subdomain and its surrounding. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one real.  
Default value:
2.00000000E001 

Default unit:
[angstrom]


Alias names for this keyword: SIGMA 
THICKNESS {Real} 

The thickness of the planar Dirichlet region. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one real.  
Default value:
7.50000000E001 

Default unit:
[angstrom]

V_D {Real} 

The value of the fixed potential to be imposed at the axisaligned Dirichlet boundary. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one real.  
Default unit:
[volt]

X_XTNT {Real} {Real} 

The X extents of the rectangle. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely 2 reals.  
Default unit:
[angstrom]

Y_XTNT {Real} {Real} 

The Y extents of the rectangle. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely 2 reals.  
Default unit:
[angstrom]

Z_XTNT {Real} {Real} 

The Z extents of the rectangle. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely 2 reals.  
Default unit:
[angstrom]

Back to the main page of this manual or the CP2K home page  (Last update: 2.12.2022) 