Dear Nick I work with version 3.2 . you mean that the problem may be originated from the tbtrans code ! interestingly, the spin up data of current is in good agreement with transmission information but the spin down data appears to be completely wrong.
best regards On Wed, Oct 11, 2017 at 11:21 AM, Nick Papior <[email protected]> wrote: > Which version of tbtrans, if you are using the beta release. Then please > use the latest version 4.1-b3. > > 2017-10-10 13:49 GMT+02:00 Farzaneh Farzadi <[email protected]>: > >> Dear Users >> >> I am studying spin transport of single molecular junctions by siesta, >> transiesta and tbtrans. recently, i have got into trouble . when i have >> run my program by tbtrans to obtain I-V curve , my data is not consistent >> with transmission spectra of that tbtrans run . >> >> for example, for the spin-down case, T(E,V) represents zero transmission >> coefficient near the Fermi level over the entire bias range (-0.6 to 0.6 >> V) whereas spin-up state shows a sharp resonance peak at the Fermi energy >> over the same bias range which can result in a half metallic property. my >> serious problem is that why the i-v curve for both spin channels has the >> same value and does not show any spin polarization. >> >> any suggestions will be really appreciated. >> >> Regards >> Farzadi >> > > > > -- > Kind regards Nick >
