Back to the main page of this manual | Input reference of CP2K version 9.1 |
CP2K_INPUT /
FORCE_EVAL /
DFT /
KG_METHOD /
XC /
XC_FUNCTIONAL /
GGA_X_PBE_R
&GGA_X_PBE_R {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 |
_KAPPA {Real} |
|
Asymptotic value of the enhancement function | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.24500000E+000 |
_MU {Real} |
|
Coefficient of the 2nd order expansion | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.19514973E-001 |
Back to the main page of this manual or the CP2K home page | (Last update: 31.12.2021) |