[Wien] about supercell code

[Peter Blaha]

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
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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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