[Wien] Space group conversion

Gavin Abo gsabo at crimson.ua.edu
Tue Jun 10 20:11:53 CEST 2014


See the post at: 
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg09344.html

On 6/10/2014 12:05 PM, Farshad Nejadsattari wrote:
> Dear Wien2k community,
>
>   I am working on a monoclinic compound belonging to the space group 
> C2/m (12)  containing 20 nonequivalent atoms, considering the fact 
> that the space group list available in StructGen in Wien2k only has 
> the option B2/m (12) for a monoclinic system, I would be thankful if 
> you could guide me on how to over come this problem, in particular how 
> to convert B2/m to C2/m if possible?
>
> Thank You
>
> Farshad Nejadsattari



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