Navigation : 
        
          
    
   Manual 
    
   Input Variables  
    
  - 
   Atomic Orbitals 
    
  - 
   Calculation Modes  
    
  -- 
   Geometry Optimization  
      --- GOCenter 
      --- GOConstrains 
      --- GOFireIntegrator 
      --- GOFireMass 
      --- GOLineTol 
      --- GOMaxIter 
      --- GOMethod 
      --- GOMinimumMove 
      --- GOObjective 
      --- GOStep 
      --- GOTolerance 
      --- PDBGOConstrains 
      --- XSFGOConstrains 
      --- XYZGOConstrains 
  
    
  -- 
   Invert KS 
    
  -- 
   Optimal Control 
    
  -- 
   Test 
    
  -- 
   Unoccupied States 
      -- CalculationMode 
  
    
  - 
   ClassicalParticles 
    
  - 
   DFTBPlusInterface 
    
  - 
   Execution 
    
  - 
   Hamiltonian 
    
  - 
   Linear Response 
    
  - 
   Math 
    
  - 
   Maxwell 
    
  - 
   MaxwellStates 
    
  - 
   Mesh 
    
  - 
   Output 
    
  - 
   SCF 
    
  - 
   States 
    
  - 
   System 
    
  - 
   Time-Dependent 
    
  - 
   Utilities 
    
  - 
   Alphabetic Index 
  
    
   Tutorials 
    
   Developers 
    
   Releases 
         
       
    
    
    GOCenter 
    
    
    
    
GOCenter 
Section  Calculation Modes::Geometry Optimization  
Type  logical 
Default  no 
 
(Experimental) If set to yes, Octopus centers the geometry at
every optimization step. It also reduces the degrees of
freedom of the optimization by using the translational
invariance.
 
    
         
        
        
        
        Source information
        
         
    
    
main/geom_opt.F90  : 275
 call  parse_variable ( sys % namespace ,  'GOCenter' ,  . false .,   center )