[Wien] v12: SRC_lapwso: init.f fix
    Kateryna Foyevtsova 
    foyevtsova at th.physik.uni-frankfurt.de
       
    Wed Aug  1 17:10:20 CEST 2012
    
    
  
Dear Wien2k developers,
v12 of Wien2k has a "severe bug fix for LDA+U calculations with complex
vorb potential" in SRC_lapwso: init.f.
How severe was that bug and in which cases did it show up? What is meant
by "complex vorb potential"?
Best regards,
Kateryna Foyevtsova
P.S. For a monoclinic system with orbital degeneracy, LDA+U+SO
calculations with version 12 give very different DOS, orbital
occupations, orbital moments (this one partially due to a fix in
SRC_lapwdm) and electron density isosurfaces, compared to the results
obtained with version 11.
    
    
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