| Back to the main page of this manual | Input reference of CP2K version 2023.1 |
CP2K_INPUT /
ATOM /
METHOD /
XC /
XC_FUNCTIONAL /
GGA_X_SSB&GGA_X_SSB {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, Constant s limit | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.07176900E+000 |
_B {Real} |
|
| B in B s^2/(1 + C s^2) | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.37574000E-001 |
_C {Real} |
|
| C in B s^2/(1 + C s^2) | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.87883000E-001 |
_D {Real} |
|
| D in D s^2/(1 + E s^4) | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.37574000E-001 |
_DELTA {Real} |
|
| delta, KT parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E-001 |
_E {Real} |
|
| E in D s^2/(1 + E s^4) | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
6.63531500E+000 |
_F {Real} |
|
| F, prefactor for KT term | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
9.95010000E-001 |
_U {Real} |
|
| u, reweighting of KT and SSB terms | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.20564300E+000 |
| Back to the main page of this manual or the CP2K home page | (Last update: 31.12.2022) |