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CP2K_INPUT /
ATOM /
METHOD /
XC /
XC_FUNCTIONAL /
GGA_K_LC94&GGA_K_LC94 {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:
9.39070000E-002 |
_ALPHA {Real} |
|
| alpha parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E+002 |
_B {Real} |
|
| b parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
7.63200000E+001 |
_C {Real} |
|
| c parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.66080000E-001 |
_D {Real} |
|
| d parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-8.09615000E-002 |
_EXPO {Real} |
|
| exponent | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.00000000E+000 |
_F {Real} |
|
| f parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.77670000E-005 |
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