Back to the main page of this manual | Input reference of CP2K version 9.1 |
CP2K_INPUT /
FORCE_EVAL /
DFT /
ENERGY_CORRECTION /
XC /
XC_FUNCTIONAL /
GGA_C_LYPR
&GGA_C_LYPR {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 |
_A {Real} |
|
Parameter a | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
4.91800000E-002 |
_B {Real} |
|
Parameter b | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.32000000E-001 |
_C {Real} |
|
Parameter c | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.53300000E-001 |
_D {Real} |
|
Parameter d | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.49000000E-001 |
_M1 {Real} |
|
Parameter m1 | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.52838428E-001 |
_M2 {Real} |
|
Parameter m2 | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.73362445E-001 |
_OMEGA {Real} |
|
Range-separation parameter | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.30000000E-001 |
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