| Back to the main page of this manual | Input reference of CP2K version 2023.1 |
CP2K_INPUT /
FORCE_EVAL /
DFT /
XAS_TDP /
KERNEL /
XC_FUNCTIONAL /
GV09&GV09 {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. |
CUTOFF_RADIUS {Real} |
|
| Defines cutoff for lower integration boundary | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
|
Default unit:
[angstrom]
|
GAMMA {Real} |
|
| Parameter for Becke Roussel hole | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E+000 |
SCALE_X {Real} |
|
| scales the exchange part of the functional | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E+000 |
| Back to the main page of this manual or the CP2K home page | (Last update: 31.12.2022) |