| Back to the main page of this manual | Input reference of CP2K version 9.1 |
CP2K_INPUT /
FORCE_EVAL /
DFT /
TDDFPT /
XC /
XC_FUNCTIONAL /
MGGA_C_REVM06&MGGA_C_REVM06 {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 |
_ALPHA_AB {Real} |
|
| alpha_ab | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.04966000E-003 |
_ALPHA_SS {Real} |
|
| alpha_ss | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.15088000E-003 |
_CAB0 {Real} |
|
| cab0 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.22240160E+000 |
_CAB1 {Real} |
|
| cab1 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
6.61390734E-001 |
_CAB2 {Real} |
|
| cab2 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.88458104E+000 |
_CAB3 {Real} |
|
| cab3 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.78036057E+000 |
_CAB4 {Real} |
|
| cab4 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-3.06857934E+000 |
_CSS0 {Real} |
|
| css0 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
9.01722458E-001 |
_CSS1 {Real} |
|
| css1 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.07999183E-001 |
_CSS2 {Real} |
|
| css2 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.82374756E+000 |
_CSS3 {Real} |
|
| css3 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.38443043E+000 |
_CSS4 {Real} |
|
| css4 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-4.42325338E-001 |
_DAB0 {Real} |
|
| dab0 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-3.39066672E-001 |
_DAB1 {Real} |
|
| dab1 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.79015638E-003 |
_DAB2 {Real} |
|
| dab2 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.76248598E-002 |
_DAB3 {Real} |
|
| dab3 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_DAB4 {Real} |
|
| dab4 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_DAB5 {Real} |
|
| dab5 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.07628516E-004 |
_DSS0 {Real} |
|
| dss0 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.46709590E-001 |
_DSS1 {Real} |
|
| dss1 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.83218701E-004 |
_DSS2 {Real} |
|
| dss2 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.48437243E-002 |
_DSS3 {Real} |
|
| dss3 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_DSS4 {Real} |
|
| dss4 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_DSS5 {Real} |
|
| dss5 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.28067717E-004 |
_FERMI_D_CNST {Real} |
|
| Constant for the correction term similar to 10.1063/1.2800011 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E-010 |
_GAMMA_AB {Real} |
|
| gamma_ab | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.10000000E-003 |
_GAMMA_SS {Real} |
|
| gamma_ss | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
6.00000000E-002 |
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