19.08.2013 08:58, venkatesh chandragiri wrote:
> But, i have another case where i got large negative spin magnetic
> moment with proper SCF convergence.
> :MMTOT: SPIN MAGNETIC MOMENT IN CELL =-0.90492
> :MMI001: MAGNETIC MOMENT IN SPHERE 1=0.00955
> :MMI002: MAGNETIC MOMENT IN SPH
Dear Dobysheva / TranSir,
your comments and suggested literature are very helpful .
I gave the answers for your comments. please respond with some suggestions.
If the atomic magnetic moments are large enough it can be a kind of
antiferromagnetic order with a close to zero summary moment over t
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