SCF run NOT converged

[Rizwan Nabi]

Hi Cindy Putri Arinta 

Looking into your input I could find that you need to increse the cutoff 
value or the number of SCF cycles 

&SCF
      SCF_GUESS ATOMIC
      MAX_SCF      1
      &DIAGONALIZATION
        ALGORITHM STANDARD
      &END DIAGONALIZATION 

You may use 
  MAX_SCF      50

Hope that it works fine.
However if it does not work you may also replace &DIAGONALIZATION section 
with &OT section.


Cheers

Rizwan






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