magnetic moment

Rizwan Nabi rizwan... at
Sat Jul 11 07:38:00 UTC 2015

Hi Guys 

I am trying to do BS approach for my complex in which some of my metal ions 
are UP-SPIN while others are DOWN-SPIN but in the output I am getting 
negative spin density for some of metal ions which I had kept UP-SPIN in 
the input by using BS method. Though I should get negative values of spin 
moment for those ions only which I had kept DOWN-SPIN. Would anyone please 
explain me how this occurs and how this problem should be addressed.

Your help is cordially appreciated 


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