| Back to the main page of this manual | Input reference of CP2K version 9.1 |
CP2K_INPUT /
ATOM /
METHOD /
XC /
XC_FUNCTIONAL /
HYB_MGGA_X_M08_SO&HYB_MGGA_X_M08_SO {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:
-3.48884280E-001 |
_A1 {Real} |
|
| a1 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-5.81574160E+000 |
_A10 {Real} |
|
| a10 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.56635450E+000 |
_A11 {Real} |
|
| a11 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.76034700E+000 |
_A2 {Real} |
|
| a2 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.75508100E+001 |
_A3 {Real} |
|
| a3 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
6.37274060E+001 |
_A4 {Real} |
|
| a4 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-5.37423130E+001 |
_A5 {Real} |
|
| a5 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-9.85955290E+001 |
_A6 {Real} |
|
| a6 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.62822160E+001 |
_A7 {Real} |
|
| a7 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.75134680E+001 |
_A8 {Real} |
|
| a8 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-6.76275530E+000 |
_A9 {Real} |
|
| a9 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.11066580E+001 |
_AX {Real} |
|
| exact exchange | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.67900000E-001 |
_B0 {Real} |
|
| b0 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
7.80984280E-001 |
_B1 {Real} |
|
| b1 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.45381780E+000 |
_B10 {Real} |
|
| b10 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.08902720E+001 |
_B11 {Real} |
|
| b11 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.09469030E+001 |
_B2 {Real} |
|
| b2 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-3.78533480E+001 |
_B3 {Real} |
|
| b3 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-6.22950800E+001 |
_B4 {Real} |
|
| b4 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.67132540E+001 |
_B5 {Real} |
|
| b5 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.73213760E+001 |
_B6 {Real} |
|
| b6 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.60534460E+001 |
_B7 {Real} |
|
| b7 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.01269200E+001 |
_B8 {Real} |
|
| b8 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-4.03436950E+001 |
_B9 {Real} |
|
| b9 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-5.85775650E+001 |
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