| Back to the main page of this manual | Input reference of CP2K version 8.2 |
CP2K_INPUT /
ATOM /
METHOD /
XC /
XC_FUNCTIONAL /
MGGA_X_R2SCANL&MGGA_X_R2SCANL {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} |
|
| a parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.78472000E+000 |
_ALPHAR {Real} |
|
| alphar parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E-003 |
_B {Real} |
|
| b parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.58304000E-001 |
_C1 {Real} |
|
| c1 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
6.67000000E-001 |
_C2 {Real} |
|
| c2 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
8.00000000E-001 |
_D {Real} |
|
| d parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.24000000E+000 |
_DP2 {Real} |
|
| dp2 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
3.61000000E-001 |
_ETA {Real} |
|
| eta parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E-003 |
_K1 {Real} |
|
| k1 parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
6.50000000E-002 |
_TAUR {Real} |
|
| taur parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E-004 |
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