| Back to the main page of this manual | Input reference of CP2K version 8.1 |
CP2K_INPUT /
FORCE_EVAL /
PROPERTIES /
TDDFPT /
XC /
XC_FUNCTIONAL /
SRLDA&SRLDA {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. |
OMEGA {Real} |
|
| provide the range-separation parameter of the functional | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E+000 |
PARAMETRIZATION {Keyword} |
|
| Which one parametrizations of the underlying PW92 functional should be used | |
| This keyword cannot be repeated and it expects precisely one keyword. | |
Default value:
ORIGINAL |
|
List of valid keywords:
|
SCALE_C {Real} |
|
| scales the correlation part of the functional | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E+000 |
SCALE_X {Real} |
|
| scales the exchange part of the functional | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E+000 |
| Back to the main page of this manual or the CP2K home page | (Last update: 14.12.2021) |