Back to the main page of this manual | Input reference of CP2K version 2023.1 (Development Version) |
CP2K_INPUT /
FORCE_EVAL /
PROPERTIES /
TDDFPT /
XC /
XC_FUNCTIONAL /
MGGA_C_MN12_L
&MGGA_C_MN12_L {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:
8.84461000E-001 |
_A1 {Real} |
|
a1 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.20227900E-001 |
_A10 {Real} |
|
a10 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_A11 {Real} |
|
a11 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_A2 {Real} |
|
a2 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.70137200E+000 |
_A3 {Real} |
|
a3 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.56237800E+000 |
_A4 {Real} |
|
a4 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-9.64682700E-001 |
_A5 {Real} |
|
a5 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.98218300E-001 |
_A6 {Real} |
|
a6 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.01997600E+001 |
_A7 {Real} |
|
a7 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
9.78935200E-001 |
_A8 {Real} |
|
a8 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.51272200E+000 |
_A9 {Real} |
|
a9 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_B0 {Real} |
|
b0 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.32394800E-001 |
_B1 {Real} |
|
b1 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-5.83190900E+000 |
_B10 {Real} |
|
b10 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_B11 {Real} |
|
b11 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_B2 {Real} |
|
b2 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.88238600E+000 |
_B3 {Real} |
|
b3 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.87848800E+000 |
_B4 {Real} |
|
b4 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.49322800E+001 |
_B5 {Real} |
|
b5 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.37463600E+001 |
_B6 {Real} |
|
b6 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-8.49232700E+000 |
_B7 {Real} |
|
b7 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.48654800E+000 |
_B8 {Real} |
|
b8 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.82234600E+001 |
_B9 {Real} |
|
b9 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
Back to the main page of this manual or the CP2K home page | (Last update: 31.5.2023) |