Dear all,
I'm calculate IV on Fe/MgO/Fe junction. The two Fe leads have
anti-parallel magnetization. I did leads calculations separately,
spin-up for left and spin-down for right leads. The minimum Hartree
potential are close, e.g., -14.30859470 eV and -14.30693436 eV.
The difference is small, about 0.02 eV, probably negligible, but not sure
about this.
Another problem is that Smeagol complains about different Fermi energies
for the two leads, the message is:
smeagol: different Fermi energies, left and right
Although Smeagol didn't stop, I'm not sure if it is safe to ignore the
difference. I checked the Fermi energies of the two leads, they are
-7.421715 eV and -7.421559 ev, the difference is also small, so
the system would be biased by 0.002 V even at zero bias input. This is
probably also negligible.
I remember Ivan suggested to manually set the HartreeBottom for one leads
the make the two Fermi energies equal. Do I need to do this ?
Thanks a lot for any information.
Best wishes,
Xiaobing
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