[Wien] AFM calculations: runsp_lapw and runafm_lapw

Haiming Li lhm at ustc.edu
Mon Oct 16 10:12:30 CEST 2006


Dear WIEN2k users,

  I am doing antiferromagnetic calculations with WIEN2k.
 
  According to the usersguide section 4.5.4 (antiferromagnetic calculations), I see the steps to perform AFM. But I see some 
people don’t do like that. They don’t setup case.struct_supergroup. They just flip the spin in case.inst, and perform runsp_lapw 
with spin polarization directly.

  What are the differences between them?

  Thank you very much.

                                     Haiming Li
                                     2006-10-16
--------------

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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