[Wien] about AFM calculation

Souraya GOUMRI-SAID goumri-said at univ-paris12.fr
Mon Jan 22 17:21:27 CET 2007


Dear Steafaan,

Your answer doesn't help me any more !!! I would like to explain my 
problems : 


How I could make the difference between NM and AFM calculation ? 

I knon how to setup AFm caluculation ( I don't forget flipping my spins 
etc...) and it's obvious for me that the total magnetic moment is partial * 
multiplicity + interstitial moment, my question was how I can distinguish 
between moments of NM and AFM calculation ? 

May the total energies play a role in finding the difference between AFM and 
NM solutions ?


best regards,



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