Back to the main page of this manual | Input reference of CP2K version 9.1 |
CP2K_INPUT /
FORCE_EVAL /
DFT /
XAS_TDP /
KERNEL /
XC_FUNCTIONAL /
GGA_K_GR
&GGA_K_GR {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. |
N {Real} |
|
Number of electrons | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E+000 |
SCALE {Real} |
|
Scales this 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: 31.12.2021) |