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 /
PZ81
&PZ81 {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. |
PARAMETRIZATION {Keyword} |
|
Which one of parametrizations should be used | |
This keyword cannot be repeated and it expects precisely one keyword. | |
Default value:
ORIGINAL |
|
List of valid keywords:
|
SCALE_C {Real} |
|
scales the correlation 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) |