Same as siesta. Co-linear spin. 2015-08-16 16:32 GMT+00:00 Jaret Qi <[email protected]>:
> Hello,, > I'm running spin polarized transport calculations for ZGNRs, so I got > currents for spin 1 and spin 2. My question: what these spins represent, > are they spin up and spin down? > As I know spin true in siesta means FM calculation which in turn means > spins are parallel or antiparallel, but not mixed. > > Thank you > Jaret > > > > > On Wednesday, August 5, 2015 4:20 AM, leoqmc . <[email protected]> wrote: > > > Dear Nick, > > Thank you for your reply. > > Leone > > 2015-08-05 4:50 GMT-03:00 Nick Papior <[email protected]>: > > I would say it is a little too much, but I think you should do convergence > tests (as noted in many of the previous answers). > > 2015-08-04 23:03 GMT+02:00 leoqmc . <[email protected]>: > > Dear Nick, I had already seen this issue on the list but I have not found a > satisfactory answer to my question. Please provide me some guide. > > Thank You Very Much. > > Leone > > > > 2015-08-04 17:50 GMT-03:00 Nick Papior <[email protected]>: > > Please read the many questions already posed about exactly this. > -- > Kind regards Nick Papior > On 4 Aug 2015 21:13, "leoqmc ." <[email protected]> wrote: > > Dear siesta/Transiesta users, > > I am interested in transport calculations. My system consists of a > molecule between two gold surfaces. The calculation for scattering region > (electrodes plus molecule) ends normally. However, Qsol and Qtot looks like: > > TranSiesta: Qsol,Qtot: 2634.554 2632.000 1.000 > > This difference is tolerable? > > Thanks in Advance. > > Leone > > > > > > -- > Kind regards Nick > > > > > -- Kind regards Nick
