when GEO_OPT pure mental Al all atoms turned into chaos,can someone tell me why?thankyou?

[smzhe... at imr.ac.cn]

*Can someome tell me why? I can not figure it out and I tried so many 
times.*

<https://lh3.googleusercontent.com/-4gRMGGRPRYc/Vy_urJCLzcI/AAAAAAAAAAM/chzSb-VkiRIlPFWJcWIwq93KRuorp5XswCLcB/s1600/QQ%25E5%259B%25BE%25E7%2589%258720160509095705.png>
&GLOBAL
  PROJECT al_bulk
  RUN_TYPE GEO_OPT
  PRINT_LEVEL MEDIUM
&END GLOBAL
&FORCE_EVAL
  METHOD QS
  &SUBSYS
    &KIND al
      BASIS_SET SZV-MOLOPT-SR-GTH-q3
      POTENTIAL GTH-PBE-q3
    &END KIND
    &CELL
     A   16.198         0.0000000000         0.000000000
     B   0.0000000000         16.198         0.0000000000
     C   0.0000000000         0.0000000000         16.198
    &END CELL
    &TOPOLOGY
      COORD_FILE_NAME  POSCAR.cif
      COORD_FILE_FORMAT cif
    &END TOPOLOGY
  &END SUBSYS
  &DFT
    BASIS_SET_FILE_NAME  BASIS_MOLOPT.MOLOPT
    POTENTIAL_FILE_NAME  GTH_POTENTIALS
    &QS
      EPS_DEFAULT 1.0E-12
    &END QS
    &MGRID
      NGRIDS 5
      CUTOFF 300
      REL_CUTOFF 60
    &END MGRID
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
    &SCF
      SCF_GUESS ATOMIC
      EPS_SCF 1.0E-7
      MAX_SCF 200
      CHOLESKY INVERSE
      &DIAGONALIZATION  T
        ALGORITHM STANDARD
      &END DIAGONALIZATION
      &MIXING  T
          METHOD BROYDEN_MIXING
          ALPHA   0.5
          BETA    1.5
          NBROYDEN  8
      &END MIXING
      &PRINT
        &RESTART OFF
        &END RESTART
      &END PRINT
    &END SCF
  &END DFT
&END FORCE_EVAL
&MOTION
  &GEO_OPT
    TYPE MINIMIZATION
    MAX_DR    1.0E-03
    MAX_FORCE 1.0E-03
    RMS_DR    1.0E-03
    RMS_FORCE 1.0E-03
    MAX_ITER  200
    OPTIMIZER BFGS
  &END GEO_OPT
&END MOTION



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