| Back to the main page of this manual | Input reference of CP2K version 8.2 |
CP2K_INPUT /
FORCE_EVAL /
DFT /
KG_METHOD /
XC /
XC_FUNCTIONAL /
XWPBE&XWPBE {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} |
|
| screening parameter | |
| 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 |
SCALE_X0 {Real} |
|
| scales the exchange part of the original hole PBE-functional | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
| Back to the main page of this manual or the CP2K home page | (Last update: 14.12.2021) |