Back to the main page of this manual | Input reference of CP2K version 2023.1 (Development Version) |
CP2K_INPUT /
FORCE_EVAL /
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XC /
XC_FUNCTIONAL /
HYB_GGA_X_CAM_S12G
&HYB_GGA_X_CAM_S12G {Logical} |
|
Activates the functional. [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. |
SCALE {Real} |
|
Scales this functional [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E+000 |
_A {Real} |
|
A parameter [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.03323556E+000 |
_ALPHA {Real} |
|
fraction of HF exchange [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.44850460E-001 |
_B {Real} |
|
B parameter [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
7.23764440E-001 |
_BETA {Real} |
|
fraction of SR exchange [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-3.44850460E-001 |
_C {Real} |
|
C parameter [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.17251000E-003 |
_D {Real} |
|
D parameter [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.15216000E-003 |
_E {Real} |
|
E parameter [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
7.06184000E-003 |
_OMEGA {Real} |
|
range-separation parameter [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.52420731E+000 |
Back to the main page of this manual or the CP2K home page | (Last update: 8.6.2023) |