[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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