| Back to the main page of this manual | Input reference of CP2K version 2023.1 |
CP2K_INPUT /
ATOM /
METHOD /
XC /
XC_FUNCTIONAL /
MGGA_C_MN15&MGGA_C_MN15 {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:
1.09325075E+000 |
_A1 {Real} |
|
| a1 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.69735037E-001 |
_A10 {Real} |
|
| a10 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_A11 {Real} |
|
| a11 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_A2 {Real} |
|
| a2 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
6.36899761E+000 |
_A3 {Real} |
|
| a3 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.45337101E-001 |
_A4 {Real} |
|
| a4 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.58710344E+000 |
_A5 {Real} |
|
| a5 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.24698862E-001 |
_A6 {Real} |
|
| a6 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.60581986E+000 |
_A7 {Real} |
|
| a7 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.66206031E-001 |
_A8 {Real} |
|
| a8 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.48497865E+000 |
_A9 {Real} |
|
| a9 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_B0 {Real} |
|
| b0 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.42742499E+000 |
_B1 {Real} |
|
| b1 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-3.57883682E+000 |
_B10 {Real} |
|
| b10 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_B11 {Real} |
|
| b11 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_B2 {Real} |
|
| b2 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
7.39872755E+000 |
_B3 {Real} |
|
| b3 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.92781056E+000 |
_B4 {Real} |
|
| b4 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.78980464E+000 |
_B5 {Real} |
|
| b5 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.98832046E+000 |
_B6 {Real} |
|
| b6 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.07946432E+000 |
_B7 {Real} |
|
| b7 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.52163686E+000 |
_B8 {Real} |
|
| b8 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.76967199E+000 |
_B9 {Real} |
|
| b9 | |
| 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: 31.12.2022) |