Back to the main page of this manual | Input reference of CP2K version 8.2 |
CP2K_INPUT /
FORCE_EVAL /
DFT /
XAS_TDP /
KERNEL /
XC_FUNCTIONAL /
HYB_GGA_XC_B3LYPS
&HYB_GGA_XC_B3LYPS {Logical} |
|
Activates the functional. | |
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 | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E+000 |
_A0 {Real} |
|
Fraction of exact exchange | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.50000000E-001 |
_AC {Real} |
|
Fraction of GGA correlation correction | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.10000000E-001 |
_AX {Real} |
|
Fraction of GGA exchange correction | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
7.20000000E-001 |
Back to the main page of this manual or the CP2K home page | (Last update: 14.12.2021) |