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CP2K_INPUT /
ATOM /
METHOD /
XC /
XC_FUNCTIONAL /
GGA_C_CHACHIYO&GGA_C_CHACHIYO {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 |
_AF {Real} |
|
| af parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-7.77267500E-003 |
_AP {Real} |
|
| ap parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.55453500E-002 |
_BF {Real} |
|
| bf parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.74203609E+001 |
_BP {Real} |
|
| bp parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.04562557E+001 |
_CF {Real} |
|
| cf parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.74203609E+001 |
_CP {Real} |
|
| cp parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.04562557E+001 |
_H {Real} |
|
| h parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
6.67263200E-002 |
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