[Wien] Wrong plane in TiC density plot?

Shu Miao shu at caltech.edu
Tue Oct 17 01:32:55 CEST 2006


Dear Wien2k users
In the TiC.in5 file, 3 points are set to select the projection plane. I
assume the first set the origin. The 2nd and 3rd points define the
directions of x,y axes by vector-minus the 1st point. The plane defined in
this way seems to be (001), not (100). Has anyone note this? This doesn't
matter in a cubic structure, but does matter in non-cubic structures. I
have no XCrysDen available to check the selection, so have to make sure my
understanding is correct.

Thanks

Regards,
Shu Miao


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