| Back to the main page of this manual | Input reference of CP2K version 2023.1 |
CP2K_INPUT /
ATOM /
METHOD /
XC /
XC_FUNCTIONAL /
GGA_X_EV93&GGA_X_EV93 {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 |
_A1 {Real} |
|
| a1 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.64712700E+000 |
_A2 {Real} |
|
| a2 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
9.80118000E-001 |
_A3 {Real} |
|
| a3 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.73990000E-002 |
_B1 {Real} |
|
| b1 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.52367100E+000 |
_B2 {Real} |
|
| b2 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.67229000E-001 |
_B3 {Real} |
|
| b3 | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.12820000E-002 |
| Back to the main page of this manual or the CP2K home page | (Last update: 31.12.2022) |