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_MN15
&MGGA_C_MN15 {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:
1.09325075E+000 |
_A1 {Real} |
|
a1 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.69735037E-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:
6.36899761E+000 |
_A3 {Real} |
|
a3 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.45337101E-001 |
_A4 {Real} |
|
a4 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.58710344E+000 |
_A5 {Real} |
|
a5 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.24698862E-001 |
_A6 {Real} |
|
a6 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.60581986E+000 |
_A7 {Real} |
|
a7 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.66206031E-001 |
_A8 {Real} |
|
a8 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.48497865E+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:
1.42742499E+000 |
_B1 {Real} |
|
b1 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-3.57883682E+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:
7.39872755E+000 |
_B3 {Real} |
|
b3 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.92781056E+000 |
_B4 {Real} |
|
b4 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.78980464E+000 |
_B5 {Real} |
|
b5 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.98832046E+000 |
_B6 {Real} |
|
b6 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.07946432E+000 |
_B7 {Real} |
|
b7 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.52163686E+000 |
_B8 {Real} |
|
b8 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.76967199E+000 |
_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) |