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MAX_DR {Real}  
Convergence criterion for the maximum geometry change between the current and the last optimizer iteration. [Edit]  
This keyword cannot be repeated and it expects precisely one real.  
Default value: 3.00000000E003  
Default unit: [bohr] 
MAX_FORCE {Real}  
Convergence criterion for the maximum force component of the current configuration. [Edit]  
This keyword cannot be repeated and it expects precisely one real.  
Default value: 4.50000000E004  
Default unit: [bohr^1*hartree] 
MAX_ITER {Integer}  
Specifies the maximum number of geometry optimization steps. One step might imply several force evaluations for the CG and LBFGS optimizers. [Edit]  
This keyword cannot be repeated and it expects precisely one integer.  
Default value: 200 
OPTIMIZER {Keyword}  
Specify which method to use to perform a geometry optimization. [Edit]  
This keyword cannot be repeated and it expects precisely one keyword.  
Default value: BFGS  
List of valid keywords:


Alias names for this keyword: MINIMIZER  
This keyword cites the following reference: [BYRD1995] 
RMS_DR {Real}  
Convergence criterion for the root mean square (RMS) geometry change between the current and the last optimizer iteration. [Edit]  
This keyword cannot be repeated and it expects precisely one real.  
Default value: 1.50000000E003  
Default unit: [bohr] 
RMS_FORCE {Real}  
Convergence criterion for the root mean square (RMS) force of the current configuration. [Edit]  
This keyword cannot be repeated and it expects precisely one real.  
Default value: 3.00000000E004  
Default unit: [bohr^1*hartree] 
STEP_START_VAL {Integer}  
The starting step value for the GEO_OPT module. [Edit]  
This keyword cannot be repeated and it expects precisely one integer.  
Default value: 0 
TYPE {Keyword}  
Specify which kind of geometry optimization to perform [Edit]  
This keyword cannot be repeated and it expects precisely one keyword.  
Default value: MINIMIZATION  
List of valid keywords: 
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