Solid State Structure Optimization

[Nasir]

Dear All,

I'm trying to optimize a solid state structure in a periodic model using 
PBE level of DFT including dispersion; this system has about 180 atoms.
when I try to optimize the system, it crashes immediately and I come up 
with an error saying "On entry to DLASCL parameter number  4 had an illegal 
value". 

I would appreciate if someone could have a look and comment on it.

Thank you in advance.





Here is the input file:

&GLOBAL
  PROJECT TEST
  PRINT_LEVEL MEDIUM
  RUN_TYPE GEO_OPT
&END GLOBAL

&FORCE_EVAL
  METHOD QS
  &DFT
    BASIS_SET_FILE_NAME /home/programs/cp2k/cp2k-2.5.1/tests/QS/BASIS_MOLOPT
    POTENTIAL_FILE_NAME 
/home/programs/cp2k/cp2k-2.5.1/tests/QS/GTH_POTENTIALS
    CHARGE 0
    MULTIPLICITY 1
  &MGRID
      NGRIDS 4
      CUTOFF 500
      REL_CUTOFF 40
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-10
      WF_INTERPOLATION PS
      EXTRAPOLATION_ORDER 3
      METHOD GPW
    &END QS
    &SCF
      SCF_GUESS ATOMIC
      EPS_SCF 1.0E-7
       &OT ON
         MINIMIZER DIIS
       &END OT
      MAX_SCF 30
      &OUTER_SCF
        MAX_SCF 30
        EPS_SCF 1.0E-7
      &END OUTER_SCF
    &END SCF
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
      &vdW_POTENTIAL
         DISPERSION_FUNCTIONAL PAIR_POTENTIAL
         &PAIR_POTENTIAL
            TYPE DFTD3
            PARAMETER_FILE_NAME 
/home/programs/cp2k/cp2k-2.5.1/tests/QS/dftd3.dat
            REFERENCE_FUNCTIONAL PBE
         &END PAIR_POTENTIAL
      &END vdW_POTENTIAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 11.4081 11.6597 16.1620
      ALPHA_BETA_GAMMA 80.452 72.505 79.100
      PERIODIC XYZ
    &END CELL
    &TOPOLOGY
      COORDINATE XYZ
      COORD_FILE_NAME input.xyz
      CONNECTIVITY OFF
    &END TOPOLOGY

    &KIND Cu
      BASIS_SET DZVP-MOLOPT-SR-GTH
      POTENTIAL GTH-PBE-q11
    &END KIND
    &KIND C
      BASIS_SET DZVP-MOLOPT-SR-GTH
      POTENTIAL GTH-PBE-q4
    &END KIND
    &KIND N
      BASIS_SET DZVP-MOLOPT-SR-GTH
      POTENTIAL GTH-PBE-q5
    &END KIND
    &KIND B
      BASIS_SET DZVP-MOLOPT-SR-GTH
      POTENTIAL GTH-PBE-q3
    &END KIND
    &KIND F
      BASIS_SET DZVP-MOLOPT-SR-GTH
      POTENTIAL GTH-PBE-q7
    &END KIND
    &KIND H
      BASIS_SET DZVP-MOLOPT-SR-GTH
      POTENTIAL GTH-PBE-q1
    &END
  &END SUBSYS
&END FORCE_EVAL

&MOTION
  &GEO_OPT
    OPTIMIZER BFGS
    MAX_FORCE 1.0E-4
  &END GEO_OPT
  &PRINT
     &TRAJECTORY
      &EACH
         GEO_OPT 1
      &END EACH
    &END TRAJECTORY
  &END
&END MOTION

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