error in the cp_fm_cholesky_decompose routine while doing a DFTB single point calculation

[Torstein Fjermestad]

Dear all, 

I am trying to do a single point calculation of a zeolite Y structure using 
DFTB. 
The DFT section of my input file is the following:

  &DFT
    CHARGE 0
    &QS
      METHOD DFTB
      &DFTB
        SELF_CONSISTENT T
        DO_EWALD        T
        DISPERSION      F
        &PARAMETER
          PARAM_FILE_PATH /<some_path>/dftb/parameters/matsci-0-3
          PARAM_FILE_NAME scc_parameter_Y
          UFF_FORCE_FIELD /<some_path>/dftb/parameters/scc/uff_table
        &END PARAMETER
      &END DFTB
    &END QS
    &SCF      
      MAX_SCF 40
      EPS_SCF 1.0E-7
      SCF_GUESS ATOMIC
      &OT
        MINIMIZER DIIS
        N_DIIS 7
        PRECONDITIONER FULL_SINGLE_INVERSE
      &END OT
      &OUTER_SCF
        EPS_SCF 1.0E-7
        MAX_SCF 10
      &END OUTER_SCF
    &end scf
    &poisson
      &ewald
        EWALD_TYPE SPME
        GMAX 25
      &end ewald
    &end poisson
  &END DFT

Right after starting, the calculation ends with the following error message:

*****************************************************************************
 *** 13:36:25 ERRORL2 in cp_fm_cholesky:cp_fm_cholesky_decompose processor 
***
 *** 0  err=-300 condition FAILED at line 102                              
***
 *****************************************************************************

The structure of the calculation has previously been optimized with the 
PBE-D functional, and I therefore doubt that a bad input geometry is the 
cause of the error. 

I would appreciate suggestions on which parameters to change in order to 
make the calculation work. 

Thanks in advance for your help. 

Regards,
Torstein Fjermestad


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