| Back to the main page of this manual | Input reference of CP2K version 9.1 |
CP2K_INPUT /
FORCE_EVAL /
PROPERTIES /
TDDFPT /
XC /
XC_FUNCTIONAL /
GGA_X_GAM&GGA_X_GAM {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 |
_CC00 {Real} |
|
| _CC00 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.32730000E+000 |
_CC01 {Real} |
|
| _CC01 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.86102000E-001 |
_CC02 {Real} |
|
| _CC02 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-5.73833000E+000 |
_CC03 {Real} |
|
| _CC03 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.60197000E+000 |
_CC10 {Real} |
|
| _CC10 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-7.86018000E-001 |
_CC11 {Real} |
|
| _CC11 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-4.78787000E+000 |
_CC12 {Real} |
|
| _CC12 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.90989000E+000 |
_CC13 {Real} |
|
| _CC13 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.11611000E+000 |
_CC20 {Real} |
|
| _CC20 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.02575000E-001 |
_CC21 {Real} |
|
| _CC21 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.44363000E+001 |
_CC22 {Real} |
|
| _CC22 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.42735000E+000 |
_CC23 {Real} |
|
| _CC23 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-6.21552000E+000 |
_CC30 {Real} |
|
| _CC30 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.42331000E-001 |
_CC31 {Real} |
|
| _CC31 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.34598000E+001 |
_CC32 {Real} |
|
| _CC32 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.52355000E+000 |
_CC33 {Real} |
|
| _CC33 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.00530000E+001 |
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