[CP2K-user] problem with the convergence criteria

[alberto]

Dear cp2k users,
I am doing the geometry optimization of a configuration (supercell 
containing 4 molecules of Fe(CO)5 with symmetry C2/c and Z=4) but the 
energy is locked on a value and is not decreasing, hence the Conv criterion 
By gradients = NO. 
How can I solve this problem? 
Should I use a higher CUTOFF value?

*******************************************************************************
 ***                 BRENT   - NUMBER OF ENERGY EVALUATIONS :       1      
  ***
 *******************************************************************************

 --------  Informations at step =   186 ------------
  Optimization Method        =                   SD
  Total Energy               =      -927.5280017548
  Real energy change         =         0.0000000000
  Decrease in energy         =                   NO
  Used time                  =             2410.831

  Convergence check :
  Max. step size             =         0.0000000000
  Conv. limit for step size  =         0.0000010000
  Convergence in step size   =                  YES
  RMS step size              =         0.0000000000
  Conv. limit for RMS step   =         0.0000010000
  Convergence in RMS step    =                  YES
  Max. gradient              =         0.0089297310
  Conv. limit for gradients  =         0.0000010000
  Conv. for gradients        =                   NO
  RMS gradient               =         0.0016280805
  Conv. limit for RMS grad.  =         0.0000010000
  Conv. for gradients        =                   NO
 ---------------------------------------------------
I attach the input
Thanks

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