| Back to the main page of this manual | Input reference of CP2K version 2023.1 |
CP2K_INPUT /
FORCE_EVAL /
DFT /
XC /
XC_FUNCTIONAL /
GGA_X_ITYH_OPTX&GGA_X_ITYH_OPTX {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 |
_A {Real} |
|
| a | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.05151000E+000 |
_B {Real} |
|
| b | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.53858184E+000 |
_GAMMA {Real} |
|
| gamma | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
6.00000000E-003 |
_OMEGA {Real} |
|
| omega | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.00000000E-001 |
| Back to the main page of this manual or the CP2K home page | (Last update: 31.12.2022) |