[Wien] (no subject)

[wysong]

Dear wien2k users:


I have performed several GGA+SOC calculations. However, when I edit case.inso file, I always use the default parameter 0 0 1 as h k l values. The UG tells that h k l is the lattice vector. But, I still do not known how to select h k l values according different space group. I have performed SOC calculation on the I4/m P21/n, I use 0 0 1 as my h k l, and they all work fine, the results seem reasonable.

Any advice is appreciated.




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Regards,
 
Sincerely,
--
W. Y. Song
----------------------
Weiyu SONG,
State Key Laboratory of Rare Earth Resource Utilization
Changchun Institute of Applied Cemistry
Chinese Academy of Sciences
Changchun 130022
PR China
5625, Renmin Street, Changchun, China

Email: wysong at ciac.jl.cn
Tel: +86-431-85262743