The tbtrans version shipped with 3.2 is before my knowledge. So I can't say for that version. I would suggest you to try the tbtrans version shipped in 4.0 (or 4.1). If you are not required to use the same version for consistency, then I would advice on using 4.0.1 as the latest stable release, or 4.1-b3 for the latest features.
2017-10-12 6:03 GMT+02:00 Farzaneh Farzadi <[email protected]>: > 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 >> > > -- Kind regards Nick
