Back to the main page of this manual | Input reference of CP2K version 2023.1 (Development Version) |
CP2K_INPUT /
FORCE_EVAL /
QMMM /
PERIODIC /
POISSON /
IMPLICIT /
DIELECTRIC /
DIELEC_AA_CUBOIDAL
DIELECTRIC_CONSTANT {Real} |
|
value of the dielectric constant inside the region. [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.00000000E+001 |
|
Alias names for this keyword: EPSILON |
SMOOTHING_WIDTH {Real} |
|
The width of the standard mollifier. [Edit on GitHub] | |
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 {Real} {Real} |
|
The X extents of the cuboid. [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 cuboid. [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 cuboid. [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: 21.3.2023) |