Back to the main page of this manual | Input reference of CP2K version 2023.1 (Development Version) |
CP2K_INPUT /
FORCE_EVAL /
DFT /
TDDFPT /
XC /
XC_FUNCTIONAL /
HYB_MGGA_X_M08_SO
&HYB_MGGA_X_M08_SO {Logical} |
|
Activates the functional. [Edit on GitHub] | |
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 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E+000 |
_A0 {Real} |
|
a0 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-3.48884280E-001 |
_A1 {Real} |
|
a1 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-5.81574160E+000 |
_A10 {Real} |
|
a10 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.56635450E+000 |
_A11 {Real} |
|
a11 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.76034700E+000 |
_A2 {Real} |
|
a2 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.75508100E+001 |
_A3 {Real} |
|
a3 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
6.37274060E+001 |
_A4 {Real} |
|
a4 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-5.37423130E+001 |
_A5 {Real} |
|
a5 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-9.85955290E+001 |
_A6 {Real} |
|
a6 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.62822160E+001 |
_A7 {Real} |
|
a7 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.75134680E+001 |
_A8 {Real} |
|
a8 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-6.76275530E+000 |
_A9 {Real} |
|
a9 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.11066580E+001 |
_AX {Real} |
|
exact exchange [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.67900000E-001 |
_B0 {Real} |
|
b0 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
7.80984280E-001 |
_B1 {Real} |
|
b1 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.45381780E+000 |
_B10 {Real} |
|
b10 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.08902720E+001 |
_B11 {Real} |
|
b11 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.09469030E+001 |
_B2 {Real} |
|
b2 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-3.78533480E+001 |
_B3 {Real} |
|
b3 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-6.22950800E+001 |
_B4 {Real} |
|
b4 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.67132540E+001 |
_B5 {Real} |
|
b5 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.73213760E+001 |
_B6 {Real} |
|
b6 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.60534460E+001 |
_B7 {Real} |
|
b7 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.01269200E+001 |
_B8 {Real} |
|
b8 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-4.03436950E+001 |
_B9 {Real} |
|
b9 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-5.85775650E+001 |
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