DFTB ERROR

[irti]

Dears,

I get rid of this error, I was missing this section in my input

&poisson
      &ewald
        EWALD_TYPE SPME
        GMAX 25
      &end ewald
    &end poisson

Thanks,
Best, IH

On Tuesday, April 28, 2015 at 1:30:16 AM UTC+2, irti wrote:
>
> Dear CP2K users,
>
> I am trying to do DFTB calculations with CP2k. I am getting this error 
> message
>
> **************************************************************************
>  *** 01:22:04 ERRORL2 in input_section_types:section_vals_val_get       ***
>  *** processor 0  :: err=-300 Value requested, but no value set getting ***
>  *** value from keyword GMAX of section EWALD                           ***
>  **************************************************************************
>
> Here is my DFTB section 
>
> METHOD DFTB
> &DFTB
>         HB_SR_GAMMA        T
>         SELF_CONSISTENT    T
>         DO_EWALD T
>         DISPERSION         T
>         &PARAMETER
>           PARAM_FILE_PATH  ./dftb_params/scc/
>           PARAM_FILE_NAME  scc_parameter
>           UFF_FORCE_FIELD  uff_table
>         &END PARAMETER
>       &END DFTB
>
> When I tried
>
>  DO_EWALD F
>
> then it ran without any error but gave poor energy values.
>
> Please help me about this particular error.
>
> Thanks.
>
> Best, Irtaza
>
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