[Wien] Re : Supercell problem of Al2O3

Michael Fischer dommiguel at gmx.de
Wed Aug 22 17:31:33 CEST 2007


Hello,

changing the outputsgroup-file will not be of any help, as this file 
serves as an information for the user. If introducing the symmetry 
operations by hand works at all, you would have to do this in the 
struct-file (at the bottom, change number of symmetry operations and 
enter the matrices).
However, I admit that I do not know whether this somewhat tedious 
procedure works at all.

Greetings
Michael



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