Back to the main page of this manual | Input reference of CP2K version 2022.1 |
CP2K_INPUT /
FORCE_EVAL /
PROPERTIES /
TDDFPT /
XC /
XC_FUNCTIONAL /
MGGA_X_FT98
&MGGA_X_FT98 {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 |
_A {Real} |
|
a | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.28014000E-003 |
_A1 {Real} |
|
a1 | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.81604900E+000 |
_A2 {Real} |
|
a2 | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.79058000E-001 |
_B {Real} |
|
b | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.90453900E-005 |
_B1 {Real} |
|
b1 | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.98773000E-001 |
_B2 {Real} |
|
b2 | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
6.63641380E+001 |
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