Dear Dr. Papior, Thank you very much for your reply. I have applied these options,
TS.BiasContour.Eta 0.00000001 Ry TS.BiasContour.NumPoints 10 But I don't know how to obtain the optimized value. Your Guidance will be highly appreciated. Thanks a lot. Best, Nadia Salami On Fri, Jul 3, 2015 at 10:55 AM, Nick Papior <[email protected]> wrote: > Please read the documentation for transiesta. > > In the currently released versions these keywords should peak your > interest: > TS.BiasContour.Eta > TS.BiasContour.NumPoints > > > 2015-07-03 5:33 GMT+02:00 Nadia Salami <[email protected]>: > >> Dear Transiesta users, >> >> According to DOI: 10.1103/PhysRevB.65.165401, I know that the >> non-equilibrium part of density matrix must be evaluated for a finite level >> broadening and on a fine grid. I need to do convergence test in the level >> broadening and number of grid points. But I don't know how to do the >> convergence test? >> >> Any comments and guidance will be appreciated. >> Best, >> >> Nadia Salami >> >> >> >> > > > -- > Kind regards Nick >
