Spin transmission spectrum messed up

[Yueyang]

Hi,
I got a fake spin transmission spectrum,
half of the spin up spectrum is regraded  as spin down spectrum by the software,
and half of the spin down spectrum is regarded as spin up spectrum.
The data messed up!

compare the two figures below, they are obtained by changing the iteration tolerance from 0.005 to 0.002.

[Petr Khomyakov]

What do you mean by "fake"? You have an individual transmission spectrum for each of the two spin channels. 

If your transmission spectrum depends on the tolerance parameter, it means that your calculation of the transmission curves is not converged yet. You have to decrease the tolerance parameter to the values for which this dependence virtually vanishes.

[Yueyang]

Thank you, I will try, But I don't think it is the problem of tolerance

[Daniele Stradi]

Hello,

to have a clearer answer, you should provide additional details such as an input script with the system you are studying.

Daniele

[Anders Blom]

half of the spin up spectrum is regraded  as spin down spectrum by the software,
and half of the spin down spectrum is regarded as spin up spectrum.

No, that's not the case. Probably your up/down states are very close in energy and changing the tolerance flips them with respect to each other, and that causes the change in the transmission curves.