[Wien] [WIEN]a problem on "x irrep -so"

Jiang Jun czjiangjun at hpsv.pku.edu.cn
Thu Aug 3 17:52:26 CEST 2006


> Why would you run CsCl spin-polarized ?????
In fact,I just want to test the function of this program irrep and see how it 
to deal with the double-valued space groups.


> Did you use init_so and take into account the reduced symmetry in a 
> spinpolarized + so calculation ?

Yeah,I followed the UG,init_so and took into acount the reduced symmetry.
By the way,program symmetso had the space groups from O_h-P221(m-3m)  to D_4h-
P123(4/mmm) correctly.

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