| 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_4&MGGA_X_KTBM_4 {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:
-2.46183022E-002 |
A2T {Real} |
|
| a2t | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.91606402E-002 |
AB {Real} |
|
| ab | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-3.87857082E-002 |
AT {Real} |
|
| at | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.16437623E-001 |
B2B {Real} |
|
| b2b | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.42089019E-001 |
B2T {Real} |
|
| b2t | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.18782148E-001 |
BB {Real} |
|
| bb | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.22310394E-001 |
BT {Real} |
|
| bt | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.12054412E-001 |
CB {Real} |
|
| cb | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
9.11162657E-001 |
CT {Real} |
|
| ct | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.04472551E+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:
3.35782459E-002 |
XT {Real} |
|
| xt | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.91733748E-002 |
| Back to the main page of this manual or the CP2K home page | (Last update: 22.7.2023) |