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 > >
