<div> </div>
<div>I download wien2k_06, 5 or 6 moth ago.<br><br> </div>
<div><span class="gmail_quote">On 7/10/06, <b class="gmail_sendername">Peter Blaha</b> <<a href="mailto:pblaha@theochem.tuwien.ac.at">pblaha@theochem.tuwien.ac.at</a>> wrote:</span>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">Did you update w2web ?<br><br>Otherwise execute supercell from the command line.<br><br>> dear users<br>
> Is there differnt between the supercell code that had been used in Wien2k_05<br>> and Wien2k_06?<br>> I made a supercell for a case in wien2k_05 ,successfuly. But when i used the<br>> same way for the same case in Wien2k_06 i was unsuccessful and i saw this
<br>> error.and know i don't know why?<br>> the error is<br>><br>> Commandline: x supercell<br>> Program input is: "ZnS.struct 2 2 2 P 0 N 0 N 0 N "<br>> Program generates supercell from a WIEN struct file.
<br>> Filename of struct file:<br>><br>> Number of cells in x direction:<br>> Number of cells in y direction:<br>> Number of cells in z direction:<br>> Optional shift all atoms by the same amount (fractional coordinates).
<br>> Please enter x shift:<br>><br>> Input/Output Error 137: Value not recognized<br>><br>> In Procedure: main program<br>> At Line: 63<br>><br>> Statement: List-Directed READ<br>> Unit: 5
<br>> Connected To: Stdin<br>> Form: Formatted<br>> Access: Sequential<br>> Records Read : 5<br>> Records Written: 0<br>><br>> Current I/O Buffer:<br>><br>> ** Address Error **
<br>><br>><br>> End of diagnostics<br>><br>> 0.000u 0.008s 0:00.07 0.0% 0+0k 0+0io 8pf+0w<br>> error: command /home/amin/Wienroot/supercell supercell.def failed<br>><br>><br>> --<br>> AMIN
<br>><br><br><br> P.Blaha<br>--------------------------------------------------------------------------<br>Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br>Phone: +43-1-58801-15671 FAX: +43-1-58801-15698
<br>Email: <a href="mailto:blaha@theochem.tuwien.ac.at">blaha@theochem.tuwien.ac.at</a> WWW: <a href="http://info.tuwien.ac.at/theochem/">http://info.tuwien.ac.at/theochem/</a><br>--------------------------------------------------------------------------
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