Back to the main page of this manual | Input reference of CP2K version 9.1 |
CP2K_INPUT /
ATOM /
METHOD /
XC /
XC_FUNCTIONAL /
HYB_GGA_XC_CAM_QTP_00
&HYB_GGA_XC_CAM_QTP_00 {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 |
_AC {Real} |
|
Fraction of LYP correlation | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.00000000E-001 |
_ALPHA {Real} |
|
Fraction of Hartree-Fock exchange | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
9.10000000E-001 |
_BETA {Real} |
|
Fraction of short-range exact exchange | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-3.70000000E-001 |
_OMEGA {Real} |
|
Range separation parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.90000000E-001 |
Back to the main page of this manual or the CP2K home page | (Last update: 31.12.2021) |