| Back to the main page of this manual | Input reference of CP2K version 2023.1 (Development Version) |
CP2K_INPUT /
FORCE_EVAL /
DFT /
ENERGY_CORRECTION /
XC /
XC_FUNCTIONAL /
GGA_K_VSK&GGA_K_VSK {Logical} |
|
| Activates the functional. [Edit on GitHub] | |
| 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 [Edit on GitHub] | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E+000 |
_A0 {Real} |
|
| constant term in numerator [Edit on GitHub] | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E+000 |
_A1 {Real} |
|
| coefficient for x^2 in numerator [Edit on GitHub] | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.89491527E-003 |
_A2 {Real} |
|
| coefficient for x^4 in numerator [Edit on GitHub] | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_A3 {Real} |
|
| coefficient for x^6 in numerator [Edit on GitHub] | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00849663E-007 |
_A4 {Real} |
|
| coefficient for x^8 in numerator [Edit on GitHub] | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_B0 {Real} |
|
| constant term in denominator [Edit on GitHub] | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E+000 |
_B1 {Real} |
|
| coefficient for x^2 in denominator [Edit on GitHub] | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.52363962E-004 |
_B2 {Real} |
|
| coefficient for x^4 in denominator [Edit on GitHub] | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.67722064E-006 |
_B3 {Real} |
|
| coefficient for x^6 in denominator [Edit on GitHub] | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
_B4 {Real} |
|
| coefficient for x^8 in denominator [Edit on GitHub] | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
| Back to the main page of this manual or the CP2K home page | (Last update: 30.3.2023) |