Back to the main page of this manual | Input reference of CP2K version 2023.1 (Development Version) |
CP2K_INPUT /
FORCE_EVAL /
PROPERTIES /
LINRES /
EPR /
PRINT /
G_TENSOR /
XC /
XC_FUNCTIONAL /
GGA_X_HJS_B88_V2
&GGA_X_HJS_B88_V2 {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} |
|
a0 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.53933000E-002 |
_A1 {Real} |
|
a1 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-6.73075000E-002 |
_A2 {Real} |
|
a2 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.91476000E-002 |
_A3 {Real} |
|
a3 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-4.54168000E-002 |
_A4 {Real} |
|
a4 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-7.65813000E-003 |
_A5 {Real} |
|
a5 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.42506000E-002 |
_B0 {Real} |
|
b0 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.65060000E+000 |
_B1 {Real} |
|
b1 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.91108000E+000 |
_B2 {Real} |
|
b2 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-3.31509000E+000 |
_B3 {Real} |
|
b3 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.54485000E+000 |
_B4 {Real} |
|
b4 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.98386000E-001 |
_B5 {Real} |
|
b5 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.36112000E-001 |
_B6 {Real} |
|
b6 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
6.47862000E-002 |
_B7 {Real} |
|
b7 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.59586000E-002 |
_B8 {Real} |
|
b8 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.45066000E-004 |
_OMEGA {Real} |
|
omega [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.10000000E-001 |
Back to the main page of this manual or the CP2K home page | (Last update: 21.3.2023) |