| Back to the main page of this manual | Input reference of CP2K version 2023.2 |
CP2K_INPUT /
ATOM /
METHOD /
XC /
XC_FUNCTIONAL /
MGGA_X_MN12_L&MGGA_X_MN12_L {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 |
_CC000 {Real} |
|
| CC000 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
6.73598100E-001 |
_CC001 {Real} |
|
| CC001 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.27059800E+000 |
_CC002 {Real} |
|
| CC002 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.61371200E+000 |
_CC003 {Real} |
|
| CC003 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.99360900E+000 |
_CC004 {Real} |
|
| CC004 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.63557500E+000 |
_CC005 {Real} |
|
| CC005 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.25067600E+000 |
_CC010 {Real} |
|
| CC010 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.44492000E-001 |
_CC011 {Real} |
|
| CC011 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.30117300E+001 |
_CC012 {Real} |
|
| CC012 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.77773000E+001 |
_CC013 {Real} |
|
| CC013 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-4.62721100E+000 |
_CC014 {Real} |
|
| CC014 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.97660500E+000 |
_CC020 {Real} |
|
| CC020 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.14289700E+000 |
_CC021 {Real} |
|
| CC021 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.04022600E+001 |
_CC022 {Real} |
|
| CC022 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.38284300E+001 |
_CC023 {Real} |
|
| CC023 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
7.11910900E+000 |
_CC030 {Real} |
|
| CC030 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.33572600E+001 |
_CC031 {Real} |
|
| CC031 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.62263300E+001 |
_CC032 {Real} |
|
| CC032 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.48273200E+001 |
_CC100 {Real} |
|
| CC100 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.44928500E+000 |
_CC101 {Real} |
|
| CC101 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.02059800E+001 |
_CC102 {Real} |
|
| CC102 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.40745000E+000 |
_CC103 {Real} |
|
| CC103 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.00819300E+001 |
_CC104 {Real} |
|
| CC104 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.25356100E+001 |
_CC110 {Real} |
|
| CC110 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-5.43503100E+000 |
_CC111 {Real} |
|
| CC111 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.65673600E+001 |
_CC112 {Real} |
|
| CC112 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.00022900E+001 |
_CC113 {Real} |
|
| CC113 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.51310500E+000 |
_CC120 {Real} |
|
| CC120 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
9.65843600E+000 |
_CC121 {Real} |
|
| CC121 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-3.82528100E+000 |
_CC122 {Real} |
|
| CC122 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.50000000E+001 |
_CC200 {Real} |
|
| CC200 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.07008000E+000 |
_CC201 {Real} |
|
| CC201 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-9.95191300E+000 |
_CC202 {Real} |
|
| CC202 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.73121100E-001 |
_CC203 {Real} |
|
| CC203 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.21089100E+001 |
_CC210 {Real} |
|
| CC210 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.82263300E+000 |
_CC211 {Real} |
|
| CC211 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.49994900E+001 |
_CC212 {Real} |
|
| CC212 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.50000000E+001 |
_CC300 {Real} |
|
| CC300 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
6.85169300E-001 |
_CC301 {Real} |
|
| CC301 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-7.40694800E-002 |
_CC302 {Real} |
|
| CC302 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-6.78800000E-001 |
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