[CP2K-user] [CP2K:16393] it does not converge for scf when the external two electrons are confined to the surface by CDFT

['陈果' via cp2k]

pure nitrogen system, the following is my paraments, what i should try？ I 
would appreciate it if you could answer for me.


  &DFT
    BASIS_SET_FILE_NAME  BASIS_MOLOPT
    POTENTIAL_FILE_NAME  POTENTIAL
    CHARGE    -2 #Net charge
    MULTIPLICITY    1 #Spin multiplicity
    &QS
      EPS_DEFAULT 1E-10 
      &CDFT
           TYPE_OF_CONSTRAINT BECKE
           STRENGTH 0
           TARGET 22   # let 2 net charge to be confined in the surface N
           ATOMIC_CHARGES  TRUE
           &ATOM_GROUP
                  ATOMS           45..48   #four surface N
                  COEFF           1 1 1 1
                  CONSTRAINT_TYPE CHARGE
           &END ATOM_GROUP
           &OUTER_SCF ON
                   EPS_SCF 1.0e+0
                   TYPE CDFT_CONSTRAINT
                   OPTIMIZER BISECT
                   MAX_SCF 0
                   STEP_SIZE -0.01
           &END OUTER_SCF
           &BECKE_CONSTRAINT
                   CUTOFF_TYPE     GLOBAL
           &END BECKE_CONSTRAINT
           &PROGRAM_RUN_INFO ON
           &END PROGRAM_RUN_INFO
      &END CDFT

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