[Wien] about supercell code

Amin Babazadeh babazade at gmail.com
Mon Jul 10 10:16:56 CEST 2006


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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20060710/9e1f45e9/attachment.html


More information about the Wien mailing list