[Wien] Why MMTOT for some structures in AFM configuration does NOT equal to 0?

Lyudmila Dobysheva lyu at otf.pti.udm.ru
Fri Jul 27 06:57:08 CEST 2007


> When I did the AFM calculations recently, I found that MMTOT:TOTAL MAGNETIC
> MOMENT IN CELL for some structures in AFM configuration NOT always equal to
> 0, but for some other structures it is ok.

It is difficult to say without more details: we need struct file and a part of 
scf file with :MMINT, :MMI00x, :MMTOT

Best wishes
Lyudmila Dobysheva
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