| Back to the main page of this manual | Input reference of CP2K version 2023.2 |
CP2K_INPUT /
FORCE_EVAL /
DFT /
TDDFPT /
XC /
XC_FUNCTIONAL /
MGGA_X_TPSS&MGGA_X_TPSS {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 |
_B {Real} |
|
| b | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.00000000E-001 |
_BLOC_A {Real} |
|
| BLOC_a | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.00000000E+000 |
_BLOC_B {Real} |
|
| BLOC_b | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_C {Real} |
|
| c | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.59096000E+000 |
_E {Real} |
|
| e | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.53700000E+000 |
_KAPPA {Real} |
|
| Asymptotic value of the enhancement function | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.04000000E-001 |
_MU {Real} |
|
| Coefficient of the 2nd order expansion | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.19510000E-001 |
| Back to the main page of this manual or the CP2K home page | (Last update: 22.7.2023) |