[Wien] supercell

[Peter Blaha]

I'm sure before x symmetry the step x sgroup  crfeated a new struct file 
and most likely you should accept this.

Alternatively, you can move the atoms "by hand" as indicated by symmetry, 
but this requires some idea of what you are doing.

> Dear Wien2K users,When I construct the supercell ,I faced somedifficulties:when I click button of " x symmetry ",it appeared '      You must move the origin (see filesuper.outputs)'.And when  I click the button of "xdstart", it appeared '  'ROTDEF' - no symmetry operation found. 'ROTDEF' - for jatom, index 1 1                                               'ROTDEF' - atomposition of jatom   0.3333333  0.1666667   0.1250000           'ROTDEF' - atomposition of index   0.3333333  0.1666667   0.1250000          I don't know how to solve this problem and admire somehelp.Thanks very much!                                   HongboWang  
> 
> 	
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                                      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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