| Back to the main page of this manual | Input reference of CP2K version 9.1 |
CP2K_INPUT /
ATOM /
METHOD /
XC /
XC_FUNCTIONAL /
HYB_MGGA_X_REVM11&HYB_MGGA_X_REVM11 {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:
-3.28886089E-001 |
_A1 {Real} |
|
| a1 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-8.38881505E+000 |
_A10 {Real} |
|
| a10 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_A11 {Real} |
|
| a11 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_A2 {Real} |
|
| a2 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
7.12389106E-001 |
_A3 {Real} |
|
| a3 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.61962130E+000 |
_A4 {Real} |
|
| a4 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.39417082E+000 |
_A5 {Real} |
|
| a5 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.04533456E+000 |
_A6 {Real} |
|
| a6 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
7.86670612E+000 |
_A7 {Real} |
|
| a7 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_A8 {Real} |
|
| a8 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_A9 {Real} |
|
| a9 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_ALPHA {Real} |
|
| exact exchange | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E+000 |
_B0 {Real} |
|
| b0 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.10388609E+000 |
_B1 {Real} |
|
| b1 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.04763696E+000 |
_B10 {Real} |
|
| b10 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_B11 {Real} |
|
| b11 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_B2 {Real} |
|
| b2 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-7.35362477E-001 |
_B3 {Real} |
|
| b3 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.47352755E+000 |
_B4 {Real} |
|
| b4 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-4.73190604E+000 |
_B5 {Real} |
|
| b5 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-5.85025021E+000 |
_B6 {Real} |
|
| b6 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-7.50599753E+000 |
_B7 {Real} |
|
| b7 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_B8 {Real} |
|
| b8 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_B9 {Real} |
|
| b9 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_BETA {Real} |
|
| short-range exchange | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-7.75000000E-001 |
_OMEGA {Real} |
|
| range-separation | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.00000000E-001 |
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