| Back to the main page of this manual | Input reference of CP2K version 9.1 |
CP2K_INPUT /
FORCE_EVAL /
PROPERTIES /
TDDFPT /
XC /
XC_FUNCTIONAL /
GGA_K_DK&GGA_K_DK {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 |
_A0 {Real} |
|
| constant term in numerator | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E+000 |
_A1 {Real} |
|
| coefficient for x^2 in numerator | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.89491527E-003 |
_A2 {Real} |
|
| coefficient for x^4 in numerator | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.32613122E-004 |
_A3 {Real} |
|
| coefficient for x^6 in numerator | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-5.54039864E-007 |
_A4 {Real} |
|
| coefficient for x^8 in numerator | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.29777723E-009 |
_B0 {Real} |
|
| constant term in denominator | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E+000 |
_B1 {Real} |
|
| coefficient for x^2 in denominator | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.52363962E-004 |
_B2 {Real} |
|
| coefficient for x^4 in denominator | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
9.28407210E-005 |
_B3 {Real} |
|
| coefficient for x^6 in denominator | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.39862070E-008 |
_B4 {Real} |
|
| coefficient for x^8 in denominator | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
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