[Wien] about supercell code

[Amin Babazadeh]

I download wien2k_06, 5 or 6 moth ago.


On 7/10/06, Peter Blaha <pblaha at theochem.tuwien.ac.at> wrote:
>
> Did you update w2web ?
>
> Otherwise execute supercell from the command line.
>
> > dear users
> > Is there differnt between the supercell code that had been used in
> Wien2k_05
> > and Wien2k_06?
> > I made a supercell for a case in wien2k_05 ,successfuly. But when i used
> the
> > same way for the same case in Wien2k_06 i was unsuccessful and i saw
> this
> > error.and know i don't know why?
> > the error is
> >
> > Commandline: x supercell
> > Program input is: "ZnS.struct 2 2 2 P 0 N 0 N 0 N "
> > Program generates supercell from a WIEN struct file.
> >  Filename of struct file:
> >
> > Number of cells in x direction:
> > Number of cells in y direction:
> > Number of cells in z direction:
> > Optional shift all atoms by the same amount (fractional coordinates).
> > Please enter x shift:
> >
> > Input/Output Error 137: Value not recognized
> >
> >   In Procedure: main program
> >        At Line: 63
> >
> >      Statement: List-Directed READ
> >           Unit: 5
> >   Connected To: Stdin
> >           Form: Formatted
> >         Access: Sequential
> > Records Read   : 5
> > Records Written: 0
> >
> > Current I/O Buffer:
> >
> > ** Address Error **
> >
> >
> > End of diagnostics
> >
> > 0.000u 0.008s 0:00.07 0.0% 0+0k 0+0io 8pf+0w
> > error: command   /home/amin/Wienroot/supercell supercell.def   failed
> >
> >
> > --
> > AMIN
> >
>
>
>                                      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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-- 
AMIN
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