[Wien] Monoclinic setting in Wien2k-regarding

Stefaan Cottenier Stefaan.Cottenier at UGent.be
Thu Jan 14 08:41:59 CET 2010


> Since it is one of the limitations of Wien2k, I would like to know if 
> negative atomic positions are permissible in Wien2k.

No. But that is no problem, just take the complement (-0.38 ==> +0.62)

Stefaan



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