Back to the main page of this manual | Input reference of CP2K version 2023.1 |
CP2K_INPUT /
ATOM /
METHOD /
XC /
XC_FUNCTIONAL /
MGGA_X_MS2
&MGGA_X_MS2 {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 |
_B {Real} |
|
exponent b | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.00000000E+000 |
_C {Real} |
|
c parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.46010000E-001 |
_KAPPA {Real} |
|
kappa parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.04000000E-001 |
Back to the main page of this manual or the CP2K home page | (Last update: 31.12.2022) |