Back to the main page of this manual | Input reference of CP2K version 9.1 |
CP2K_INPUT /
FORCE_EVAL /
PROPERTIES /
TDDFPT /
XC /
XC_FUNCTIONAL /
GGA_K_PBE4
&GGA_K_PBE4 {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:
1.71070000E+000 |
_C1 {Real} |
|
c1 | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-7.23330000E+000 |
_C2 {Real} |
|
c2 | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
6.16450000E+001 |
_C3 {Real} |
|
c3 | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-9.36830000E+001 |
Back to the main page of this manual or the CP2K home page | (Last update: 31.12.2021) |