Dear Transiesta users I am trying to find spin polarizedtransmission of MgO sandwiched between two Fe electrodes with Transiesta. Electrode calculations forspin up polarized are good, and Transiesta after about 600 iterations converged. But calculationsfor whole system after 25000 iterations does not converge, and i don't know problems in my fdf file.Please help me to modify my scattering fdf file. Here are attached the fdf file for bothelectrode and scattering regions. Any suggestion will be appreciated.
Best Regards, Masoud Ansarino
SR.fdf
Description: application/vnd.fdf
Elec.fdf
Description: application/vnd.fdf
