| Back to the main page of this manual | Input reference of CP2K version 2023.2 |
CP2K_INPUT /
ATOM /
METHOD /
XC /
XC_FUNCTIONAL /
MGGA_X_KTBM_14&MGGA_X_KTBM_14 {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:
-2.23301621E-002 |
A2T {Real} |
|
| a2t | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.92717140E-002 |
AB {Real} |
|
| ab | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.83729979E-001 |
AT {Real} |
|
| at | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.71261890E-001 |
B2B {Real} |
|
| b2b | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.81371259E-001 |
B2T {Real} |
|
| b2t | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.27670996E-001 |
BB {Real} |
|
| bb | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.23486856E-001 |
BT {Real} |
|
| bt | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.14463423E-001 |
CB {Real} |
|
| cb | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.47103141E-001 |
CT {Real} |
|
| ct | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00982684E+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:
5.44711956E-002 |
XT {Real} |
|
| xt | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.86613283E-002 |
| Back to the main page of this manual or the CP2K home page | (Last update: 22.7.2023) |