[Wien] (no subject)

[Gavin Abo]

> WARNING: YOU MUST MOVE THE ORIGIN (see  wa.outputs )
> YOU SHOULD PROBABLY ACCEPT THE STRUCT-FILE FROM SGROUP 
> ( case.struct_sgroup )

As the program tells you, the problem can probably be solved by 
accepting the struct file from sgroup.

> STOP: YOU MUST MOVE THE ORIGIN OF THE UNIT CELL (see  case.outputs )

As the program says, the problem can be solved by moving the origin of 
the cell.  To move the origin, all atoms should be shifted by the x, y, 
and z values given in case.outputs (such as with 'x supercell' or 
structeditor) 
[http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg04305.html].
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