Back to the main page of this manual  Input reference of CP2K version 8.0 
CP2K_INPUT /
MOTION /
CELL_OPT /
CG
FLETCHER_REEVES {Logical} 

Uses FLETCHERREEVES instead of POLAKRIBIERE when using Conjugate Gradients [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. 
MAX_STEEP_STEPS {Integer} 

Maximum number of steepest descent steps before starting the conjugate gradients optimization. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one integer.  
Default value:
0 
RESTART_LIMIT {Real} 

Cosine of the angle between two consecutive searching directions. If the angle during a CG optimization is less than the one corresponding to to the RESTART_LIMIT the CG is reset and one step of steepest descent is performed. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one real.  
Default value:
9.00000000E001 
Back to the main page of this manual or the CP2K home page  (Last update: 8.4.2020) 