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CP2K_INPUT /
ATOM /
METHOD /
XC /
XC_FUNCTIONAL /
HYB_MGGA_X_M06
&HYB_MGGA_X_M06 {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:
5.87794300E-001 |
_A1 {Real} |
|
_a1 parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.37177600E-001 |
_A10 {Real} |
|
_a10 parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.04374700E+001 |
_A11 {Real} |
|
_a11 parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.25650400E+001 |
_A2 {Real} |
|
_a2 parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.68236700E-001 |
_A3 {Real} |
|
_a3 parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.51589800E+000 |
_A4 {Real} |
|
_a4 parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.97889200E+000 |
_A5 {Real} |
|
_a5 parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.71067900E+000 |
_A6 {Real} |
|
_a6 parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.68819500E+001 |
_A7 {Real} |
|
_a7 parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-4.48972400E+000 |
_A8 {Real} |
|
_a8 parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-3.29998300E+001 |
_A9 {Real} |
|
_a9 parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.44905000E+001 |
_D0 {Real} |
|
_d0 parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.42205700E-001 |
_D1 {Real} |
|
_d1 parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
7.37031900E-004 |
_D2 {Real} |
|
_d2 parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.60137300E-002 |
_D3 {Real} |
|
_d3 parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_D4 {Real} |
|
_d4 parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_D5 {Real} |
|
_d5 parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_X {Real} |
|
Fraction of exact exchange | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.70000000E-001 |
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