[Wien] [SPAM?] Question about space group?

[mengqiu cai]

Dear wien user:
     I am meeting with a small question about the B1a1 space group. Beacuse the B1a1 space group is not included in the Wien2k_03. I can not generate the equivalent atomic positions based  on the corresponding space group.I have known the dynamic constants (a, b, c, α β γ , and Z=4 ) and all 72 atomic positions of in a conventional cell, but not the primitive cell. Please tell me how to construct the struct file step by step.
Thank you in advance!
 
 
Ph. D cai



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