[Wien] [SPAM?] AFM calculations of NiO

[Haiming Li]

Dear WIEN users,

I am a fresh user of WIEN just 2 months. I am still not clear about the antiferromagnetic calculations of WIEN.

Bulk NiO is antiferromagnetic. So I try to calculate it as an example. I have carefully read the UG and former mailist. 
Mr Blaha recommend for the beginning always to use a regular runsp_lapw calculation (with interchanged 
spins in case.inst). 

But I fail to construct the strucrture file and I can’t find the NiO (space group: Fm3m) antiferromagnetic structure file in the
Mailist or else where. Can someone give me a hand?

Thank you very much.

                                                                                                              Haiming Li
                                    2006-10-13

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Haiming Li
Beijing Synchrotron Radiation Facility
Institute of High Energy Physics
Chinese Academy of Sciences
19 Yu Quan Lu, 100049 Beijing, P.R. China
Tel: +86 10 8823 3052 ； +86 135 8190 2824                
E-mail:lihm at ihep.ac.cn

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