[Wien] Space Groups

Travis Sefzik tsefzik at chemistry.ohio-state.edu
Mon Apr 18 23:45:28 CEST 2005


Hello,

I need to build a system with a C 2/m spacegroup but w2web only has
B 2/m.  Is there an easy way to deal with this in WIEN?

What I have been doing is to put in my unique angle beta=103.87 for
gamma and switch y with z Wyckoff positions using the B 2/m space group
but I am afraid that this is not proper.




Thanks,
Travis







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