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CP2K_INPUT /
ATOM /
METHOD /
XC /
XC_FUNCTIONAL /
HYB_GGA_X_CAM_S12G&HYB_GGA_X_CAM_S12G {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 |
_A {Real} |
|
| A parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.03323556E+000 |
_ALPHA {Real} |
|
| fraction of HF exchange | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.44850460E-001 |
_B {Real} |
|
| B parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
7.23764440E-001 |
_BETA {Real} |
|
| fraction of SR exchange | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-3.44850460E-001 |
_C {Real} |
|
| C parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.17251000E-003 |
_D {Real} |
|
| D parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.15216000E-003 |
_E {Real} |
|
| E parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
7.06184000E-003 |
_OMEGA {Real} |
|
| range-separation parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.52420731E+000 |
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