pure nitrogen system, the following is my paraments, what i should try？

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

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