| Back to the main page of this manual | Input reference of CP2K version 2023.1 |
CP2K_INPUT /
FORCE_EVAL /
DFT /
TDDFPT /
XC /
XC_FUNCTIONAL /
GGA_K_PBE3&GGA_K_PBE3 {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:
4.13550000E+000 |
_C1 {Real} |
|
| c1 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-3.74250000E+000 |
_C2 {Real} |
|
| c2 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.02580000E+001 |
_C3 {Real} |
|
| c3 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
| Back to the main page of this manual or the CP2K home page | (Last update: 31.12.2022) |