As you said, convergence tests is the way to go. 2015-07-03 9:06 GMT+02:00 Nadia Salami <nadiasala...@gmail.com>:
> 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 <nickpap...@gmail.com> 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 <nadiasala...@gmail.com>: >> >>> 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 >> > > -- Kind regards Nick
