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CP2K_INPUT /
ATOM /
METHOD /
XC /
XC_FUNCTIONAL /
HYB_GGA_X_CAM_S12H&HYB_GGA_X_CAM_S12H {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:
1.02149642E+000 |
_ALPHA {Real} |
|
| fraction of HF exchange | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.58978450E-001 |
_B {Real} |
|
| B parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
7.35503580E-001 |
_BETA {Real} |
|
| fraction of SR exchange | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.08978450E-001 |
_C {Real} |
|
| C parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.25905000E-003 |
_D {Real} |
|
| D parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.35804000E-003 |
_E {Real} |
|
| E parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
6.54977000E-003 |
_OMEGA {Real} |
|
| range-separation parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.85168910E-001 |
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