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CP2K_INPUT /
ATOM /
METHOD /
XC /
XC_FUNCTIONAL /
GGA_X_S12G&GGA_X_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:
1.03842032E+000 |
_B {Real} |
|
| B parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
7.18579680E-001 |
_C {Real} |
|
| C parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.03198000E-003 |
_D {Real} |
|
| D parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.04596000E-003 |
_E {Real} |
|
| E parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.94635000E-003 |
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