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 SPHERE
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
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