| 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_LC_QTP&HYB_GGA_XC_LC_QTP {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:
1.00000000E+000 |
_ALPHA {Real} |
|
| Fraction of Hartree-Fock exchange | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E+000 |
_BETA {Real} |
|
| Fraction of short-range exact exchange | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.00000000E+000 |
_OMEGA {Real} |
|
| Range separation parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.75000000E-001 |
| Back to the main page of this manual or the CP2K home page | (Last update: 31.12.2021) |