Back to the main page of this manual | Input reference of CP2K version 9.1 |
CP2K_INPUT /
FORCE_EVAL /
DFT /
KG_METHOD /
XC /
XC_FUNCTIONAL /
HYB_MGGA_X_M05_2X
&HYB_MGGA_X_M05_2X {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 parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E+000 |
_A1 {Real} |
|
a1 parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-5.68330000E-001 |
_A10 {Real} |
|
a10 parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.32220500E+001 |
_A11 {Real} |
|
a11 parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.52369400E+001 |
_A2 {Real} |
|
a2 parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.30057000E+000 |
_A3 {Real} |
|
a3 parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.50070000E+000 |
_A4 {Real} |
|
a4 parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
9.06402000E+000 |
_A5 {Real} |
|
a5 parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-3.22107500E+001 |
_A6 {Real} |
|
a6 parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.37329800E+001 |
_A7 {Real} |
|
a7 parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
7.02299600E+001 |
_A8 {Real} |
|
a8 parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.98861400E+001 |
_A9 {Real} |
|
a9 parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-6.02577800E+001 |
_CSI_HF {Real} |
|
overall scaling for DFT part | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.40000000E-001 |
_CX {Real} |
|
fraction of exact exchange | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.60000000E-001 |
Back to the main page of this manual or the CP2K home page | (Last update: 31.12.2021) |