Author Topic: unequal occupation in 2 spin channels of AFM arrangement  (Read 1470 times)

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Offline Sabyasachi Sen

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TMR caln using magentic electrode, insulating tunnel barrier shows unequal occupation in 2 different spin channels in AFM arrangement as per .es file. This is ambiguous as unequal occupation implies net spin even with AFM arrangement. Kindly explain.

Offline Jess Wellendorff

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Re: unequal occupation in 2 spin channels of AFM arrangement
« Reply #1 on: October 26, 2015, 14:27 »
We need some more information about the calculation you refer to. Could you please upload some material, preferably the python script and relevant output files.