| Back to the main page of this manual | Input reference of CP2K version 8.2 |
CP2K_INPUT /
FORCE_EVAL /
DFT /
TDDFPT /
XC /
XC_FUNCTIONAL /
GGA_X_N12&GGA_X_N12 {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:
1.00000000E+000 |
_CC01 {Real} |
|
| _CC01 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.07880000E-001 |
_CC02 {Real} |
|
| _CC02 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.68233000E-001 |
_CC03 {Real} |
|
| _CC03 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.28887000E-001 |
_CC10 {Real} |
|
| _CC10 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.60211000E-002 |
_CC11 {Real} |
|
| _CC11 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.71008000E+001 |
_CC12 {Real} |
|
| _CC12 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
6.50814000E+001 |
_CC13 {Real} |
|
| _CC13 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-7.01726000E+001 |
_CC20 {Real} |
|
| _CC20 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-3.90755000E-001 |
_CC21 {Real} |
|
| _CC21 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.13392000E+001 |
_CC22 {Real} |
|
| _CC22 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.66220000E+002 |
_CC23 {Real} |
|
| _CC23 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.42738000E+002 |
_CC30 {Real} |
|
| _CC30 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.03611000E-001 |
_CC31 {Real} |
|
| _CC31 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-3.44631000E+001 |
_CC32 {Real} |
|
| _CC32 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
7.61661000E+001 |
_CC33 {Real} |
|
| _CC33 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.41834000E+000 |
| Back to the main page of this manual or the CP2K home page | (Last update: 14.12.2021) |