Back to the main page of this manual | Input reference of CP2K version 2023.2 |
CP2K_INPUT /
FORCE_EVAL /
DFT /
XC /
XC_FUNCTIONAL /
MGGA_X_KTBM_3
&MGGA_X_KTBM_3 {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. |
A2B {Real} |
|
a2b | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-4.49879122E-003 |
A2T {Real} |
|
a2t | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.25638688E-002 |
AB {Real} |
|
ab | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-9.53034515E-002 |
AT {Real} |
|
at | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.82635760E-001 |
B2B {Real} |
|
b2b | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.37866068E-001 |
B2T {Real} |
|
b2t | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.19517854E-001 |
BB {Real} |
|
bb | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.22080166E-001 |
BT {Real} |
|
bt | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.08652870E-001 |
CB {Real} |
|
cb | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
9.06205652E-001 |
CT {Real} |
|
ct | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.03798116E+000 |
SCALE {Real} |
|
Scales this functional | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E+000 |
XB {Real} |
|
xb | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.12313611E-002 |
XT {Real} |
|
xt | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.53509045E-002 |
Back to the main page of this manual or the CP2K home page | (Last update: 22.7.2023) |