Back to the main page of this manual  Input reference of CP2K version 2023.1 
CP2K_INPUT /
FORCE_EVAL /
DFT /
ENERGY_CORRECTION /
XC /
XC_FUNCTIONAL /
MGGA_X_MTASK
&MGGA_X_MTASK {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 
_ANU0 {Real} 

Coefficient 0 of the Chebyshev expansion for h_x^1  
This keyword cannot be repeated and it expects precisely one real.  
Default value:
9.24374000E001 
_ANU1 {Real} 

Coefficient 1 of the Chebyshev expansion for h_x^1  
This keyword cannot be repeated and it expects precisely one real.  
Default value:
9.27684700E002 
_ANU2 {Real} 

Coefficient 2 of the Chebyshev expansion for h_x^1  
This keyword cannot be repeated and it expects precisely one real.  
Default value:
1.71430000E002 
_BNU0 {Real} 

Coefficient 0 of the Chebyshev expansion for fx(a)  
This keyword cannot be repeated and it expects precisely one real.  
Default value:
6.39572000E001 
_BNU1 {Real} 

Coefficient 1 of the Chebyshev expansion for fx(a)  
This keyword cannot be repeated and it expects precisely one real.  
Default value:
2.08748800E+000 
_BNU2 {Real} 

Coefficient 2 of the Chebyshev expansion for fx(a)  
This keyword cannot be repeated and it expects precisely one real.  
Default value:
6.25000000E001 
_BNU3 {Real} 

Coefficient 3 of the Chebyshev expansion for fx(a)  
This keyword cannot be repeated and it expects precisely one real.  
Default value:
1.62512000E001 
_BNU4 {Real} 

Coefficient 4 of the Chebyshev expansion for fx(a)  
This keyword cannot be repeated and it expects precisely one real.  
Default value:
1.45720000E002 
_C {Real} 

Value of the constant in the exponent of g_x  
This keyword cannot be repeated and it expects precisely one real.  
Default value:
4.94790000E+000 
_D {Real} 

Value of the exponent of g_x(s^2)^c  
This keyword cannot be repeated and it expects precisely one real.  
Default value:
1.00000000E+001 
_H0X {Real} 

Value of h_x^0  
This keyword cannot be repeated and it expects precisely one real.  
Default value:
1.29000000E+000 
Back to the main page of this manual or the CP2K home page  (Last update: 31.12.2022) 