Back to the main page of this manual  Input reference of CP2K version 8.0 
CP2K_INPUT /
MOTION /
CELL_OPT /
LBFGS
MAX_F_PER_ITER {Integer} 

Maximum number of force evaluations per iteration(used for the line search) [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one integer.  
Default value:
20 
MAX_H_RANK {Integer} 

Maximum rank (and consequently size) of the approximate Hessian matrix used by the LBFGS optimizer. Larger values (e.g. 30) will accelerate the convergence behaviour at the cost of a larger memory consumption. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one integer.  
Default value:
5 
TRUST_RADIUS {Real} 

Trust radius used in LBFGS. Not completely in depth tested. Negativ values means no trust radius is used. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one real.  
Default value:
5.29177209E001 

Default unit:
[angstrom]

WANTED_PROJ_GRADIENT {Real} 

Convergence criterion (overrides the general ones):Requested norm threshold of the gradient multiplied by the approximate Hessian. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one real.  
Default value:
1.00000000E016 

Default unit:
[internal_cp2k]

WANTED_REL_F_ERROR {Real} 

Convergence criterion (overrides the general ones):Requested relative error on the objective functionof the optimizer (the energy) [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one real.  
Default value:
1.00000000E016 

Default unit:
[internal_cp2k]

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