Back to the main page of this manual | Input reference of CP2K version 9.1 |
CP2K_INPUT /
ATOM /
METHOD /
XC /
XC_FUNCTIONAL /
HYB_GGA_XC_PBE_SOL0
&HYB_GGA_XC_PBE_SOL0 {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} |
|
Mixing parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.50000000E-001 |
Back to the main page of this manual or the CP2K home page | (Last update: 31.12.2021) |