Back to the main page of this manual | Input reference of CP2K version 2023.1 (Development Version) |
CP2K_INPUT /
FORCE_EVAL /
PROPERTIES /
TDDFPT /
XC /
XC_FUNCTIONAL /
GGA_X_HJS_PBE_SOL
&GGA_X_HJS_PBE_SOL {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:
4.73330000E-003 |
_A1 {Real} |
|
a1 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.03304000E-002 |
_A2 {Real} |
|
a2 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-5.74615000E-002 |
_A3 {Real} |
|
a3 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.35395000E-002 |
_A4 {Real} |
|
a4 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.16251000E-002 |
_A5 {Real} |
|
a5 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
6.37210000E-003 |
_B0 {Real} |
|
b0 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.52056000E+000 |
_B1 {Real} |
|
b1 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.39885000E+001 |
_B2 {Real} |
|
b2 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
9.28583000E+000 |
_B3 {Real} |
|
b3 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-3.27287000E+000 |
_B4 {Real} |
|
b4 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.43499000E-001 |
_B5 {Real} |
|
b5 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.35543000E-001 |
_B6 {Real} |
|
b6 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.47074000E-002 |
_B7 {Real} |
|
b7 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.71561000E-002 |
_B8 {Real} |
|
b8 [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.05520000E-003 |
_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: 31.5.2023) |