[Wien] error in clm file?

[Michael Gurnett]

forgot to mention (might be of importance)

after row 490406 there are about 40000 rows which look like the following

       5   11  -15 0.354950516745E-05-0.260742444091E-08
       5   11   15-0.764428569635E-06-0.393941107232E-05
       7   -8  -15-0.309982243757E-05 0.132696725487E-05
       7   -8   15 0.203165040733E-05 0.328419556456E-05
       7    1  -15-0.710719569205E-07 0.342626181002E-05
       7    1   15 0.399245505177E-05-0.594852516270E-06



followed by about 170000 rows with the last two columns zero

      16   38  -54 0.000000000000E+00 0.000000000000E+00
      16   38   54 0.000000000000E+00 0.000000000000E+00
      -5  -16 -270 0.000000000000E+00 0.000000000000E+00
      -5  -16  270 0.000000000000E+00 0.000000000000E+00
      -5   21 -270 0.000000000000E+00 0.000000000000E+00
      -5   21  270 0.000000000000E+00 0.000000000000E+00
      -2  -21 -270 0.000000000000E+00 0.000000000000E+00
      -2  -21  270 0.000000000000E+00 0.000000000000E+00

Should this be like this??


----- Original Message ----- 
From: "Michael Gurnett" <michael.gurnett at kau.se>
To: <wien at zeus.theochem.tuwien.ac.at>
Sent: Tuesday, November 25, 2003 7:55 AM
Subject: Re: [Wien] error in clm file?


> Tried dstart on a different computer. Received exactly same error even the
> same number of records read is the same. Something is very strange. Any
> other ideas..
>
> Michael
>
> ----- Original Message ----- 
> From: "Peter Blaha" <pblaha at zeus.theochem.tuwien.ac.at>
> To: <wien at zeus.theochem.tuwien.ac.at>
> Sent: Monday, November 24, 2003 11:16 AM
> Subject: Re: [Wien] error in clm file?
>
>
> > > I have just finished dstart and have obtained a clm file. Howerver,
when
> I run mini I get the following error
> > >
> > > Input/Output Error 148: Invalid character
> > >
> > >    In Procedure: main program
> > >         At Line: 394
> > >
> > >       Statement: Formatted READ
> > >            Unit: 8
> > >    Connected To: Li-Ge3x1.clmsum
> > >            Form: Formatted
> > >          Access: Sequential
> > > Records Read   : 490406
> >
> > Look with an editor into line 490406 of that file. Most likely you will
> > see some non-numeric character.
> >
> > I had such a problem once, when the harddisk had a problem.
> >
> >
> >                                       P.Blaha
>
> --------------------------------------------------------------------------
> > Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> > Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
> > Email: blaha at theochem.tuwien.ac.at    WWW:
> http://info.tuwien.ac.at/theochem/
>
> --------------------------------------------------------------------------
> >
> > _______________________________________________
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>
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