QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Sabyasachi Sen on October 25, 2015, 08:18

Title: unequal occupation in 2 spin channels of AFM arrangement
Post by: Sabyasachi Sen on October 25, 2015, 08:18

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.

Title: Re: unequal occupation in 2 spin channels of AFM arrangement
Post by: Jess Wellendorff 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.