| Back to the main page of this manual | Input reference of CP2K version 2023.1 |
CP2K_INPUT /
FORCE_EVAL /
DFT /
XC /
XC_FUNCTIONAL /
HYB_GGA_XC_CASE21&HYB_GGA_XC_CASE21 {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 |
_AX {Real} |
|
| ax parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.50000000E-001 |
_CC0 {Real} |
|
| cc0 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.14597000E+000 |
_CC1 {Real} |
|
| cc1 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
9.98463000E-001 |
_CC2 {Real} |
|
| cc2 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.60252000E-001 |
_CC3 {Real} |
|
| cc3 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
7.30431000E-001 |
_CC4 {Real} |
|
| cc4 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.97762000E-001 |
_CC5 {Real} |
|
| cc5 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.57063000E-001 |
_CC6 {Real} |
|
| cc6 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.08760000E-001 |
_CC7 {Real} |
|
| cc7 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.55654000E-001 |
_CC8 {Real} |
|
| cc8 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
7.45555000E-005 |
_CC9 {Real} |
|
| cc9 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.55941600E-001 |
_CX0 {Real} |
|
| cx0 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.89402000E-001 |
_CX1 {Real} |
|
| cx1 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
9.97849000E-001 |
_CX2 {Real} |
|
| cx2 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.11912000E+000 |
_CX3 {Real} |
|
| cx3 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.24555000E+000 |
_CX4 {Real} |
|
| cx4 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.35175000E+000 |
_CX5 {Real} |
|
| cx5 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.44740000E+000 |
_CX6 {Real} |
|
| cx6 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.54252000E+000 |
_CX7 {Real} |
|
| cx7 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.63761000E+000 |
_CX8 {Real} |
|
| cx8 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.73269000E+000 |
_CX9 {Real} |
|
| cx9 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.82777000E+000 |
_GAMMAC {Real} |
|
| gammac parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.49869874E+001 |
_GAMMAX {Real} |
|
| gammax parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.73028573E-001 |
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