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CP2K_INPUT /
FORCE_EVAL /
DFT /
XC /
XC_FUNCTIONAL /
MGGA_X_M06_L&MGGA_X_M06_L {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:
3.98775600E-001 |
_A1 {Real} |
|
| _a1 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.54821900E-001 |
_A10 {Real} |
|
| _a10 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.42181400E+001 |
_A11 {Real} |
|
| _a11 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-9.04976200E+000 |
_A2 {Real} |
|
| _a2 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.92399400E-001 |
_A3 {Real} |
|
| _a3 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.10365500E+000 |
_A4 {Real} |
|
| _a4 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-6.30214700E+000 |
_A5 {Real} |
|
| _a5 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.09761500E+001 |
_A6 {Real} |
|
| _a6 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.09727300E+001 |
_A7 {Real} |
|
| _a7 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.31848900E+001 |
_A8 {Real} |
|
| _a8 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-5.67348000E+001 |
_A9 {Real} |
|
| _a9 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.16036400E+001 |
_D0 {Real} |
|
| _d0 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
6.01224400E-001 |
_D1 {Real} |
|
| _d1 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.74882200E-003 |
_D2 {Real} |
|
| _d2 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-8.63510800E-003 |
_D3 {Real} |
|
| _d3 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-9.30806200E-006 |
_D4 {Real} |
|
| _d4 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.48281100E-005 |
_D5 {Real} |
|
| _d5 parameter | |
| 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) |