| Back to the main page of this manual | Input reference of CP2K version 9.1 |
CP2K_INPUT /
FORCE_EVAL /
DFT /
XC /
XC_FUNCTIONAL /
HYB_GGA_XC_HSE12&HYB_GGA_XC_HSE12 {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:
3.13000000E-001 |
_OMEGA_HF {Real} |
|
| Screening parameter for HF | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
9.78977840E-002 |
_OMEGA_PBE {Real} |
|
| Screening parameter for PBE | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
9.78977840E-002 |
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