| Back to the main page of this manual | Input reference of CP2K version 2022.1 |
CP2K_INPUT /
ATOM /
METHOD /
XC /
XC_FUNCTIONAL /
GGA_X_LAMBDA_CH_N&GGA_X_LAMBDA_CH_N {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 |
_KAPPA {Real} |
|
| Asymptotic value of the enhancement function | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.19514973E-001 |
_MU {Real} |
|
| Coefficient of the 2nd order expansion | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.21500000E+000 |
_N {Real} |
|
| Number of electrons | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E+023 |
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