| Back to the main page of this manual | Input reference of CP2K version 9.1 |
CP2K_INPUT /
FORCE_EVAL /
PROPERTIES /
TDDFPT /
XC /
XC_FUNCTIONAL /
MGGA_C_TPSS&MGGA_C_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 |
_BETA {Real} |
|
| beta | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
6.67245506E-002 |
_C0_C0 {Real} |
|
| C0_c0 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.30000000E-001 |
_C0_C1 {Real} |
|
| C0_c1 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.70000000E-001 |
_C0_C2 {Real} |
|
| C0_c2 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.00000000E-001 |
_C0_C3 {Real} |
|
| C0_c3 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.26000000E+000 |
_D {Real} |
|
| d | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.80000000E+000 |
| Back to the main page of this manual or the CP2K home page | (Last update: 31.12.2021) |