| Back to the main page of this manual | Input reference of CP2K version 2023.1 |
CP2K_INPUT /
ATOM /
METHOD /
XC /
XC_FUNCTIONAL /
HYB_MGGA_X_M08_HX&HYB_MGGA_X_M08_HX {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 |
_A0 {Real} |
|
| a0 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.33401720E+000 |
_A1 {Real} |
|
| a1 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-9.47510870E+000 |
_A10 {Real} |
|
| a10 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.40582650E+001 |
_A11 {Real} |
|
| a11 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.28805700E+001 |
_A2 {Real} |
|
| a2 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.25418930E+001 |
_A3 {Real} |
|
| a3 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
9.13699740E+000 |
_A4 {Real} |
|
| a4 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.47172040E+001 |
_A5 {Real} |
|
| a5 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.88318070E+001 |
_A6 {Real} |
|
| a6 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
7.13695740E+001 |
_A7 {Real} |
|
| a7 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.33129610E+001 |
_A8 {Real} |
|
| a8 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.83146790E+000 |
_A9 {Real} |
|
| a9 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-6.50441670E+000 |
_AX {Real} |
|
| exact exchange | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.22300000E-001 |
_B0 {Real} |
|
| b0 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-8.56318230E-001 |
_B1 {Real} |
|
| b1 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
9.28103540E+000 |
_B10 {Real} |
|
| b10 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.65878680E+001 |
_B11 {Real} |
|
| b11 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.39932030E+001 |
_B2 {Real} |
|
| b2 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.22607490E+001 |
_B3 {Real} |
|
| b3 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-5.51896650E+000 |
_B4 {Real} |
|
| b4 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-3.55349890E+001 |
_B5 {Real} |
|
| b5 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-8.20499960E+001 |
_B6 {Real} |
|
| b6 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-6.85865580E+001 |
_B7 {Real} |
|
| b7 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.60856940E+001 |
_B8 {Real} |
|
| b8 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-9.37409830E+000 |
_B9 {Real} |
|
| b9 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-5.97316880E+001 |
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