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 >
