| Back to the main page of this manual | Input reference of CP2K version 2023.1 |
CP2K_INPUT /
ATOM /
METHOD /
XC /
XC_FUNCTIONAL /
GGA_X_FT97_B&GGA_X_FT97_B {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 |
_BETA0 {Real} |
|
| beta0 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.91364400E-003 |
_BETA1 {Real} |
|
| beta1 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
9.47416900E-004 |
_BETA2 {Real} |
|
| beta2 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
6.25574632E+006 |
| Back to the main page of this manual or the CP2K home page | (Last update: 31.12.2022) |