Hi, No, I would say you need to conduct more experiments in trying to understand your system's sensitivity and convergences a bit better.
Den tor. 3. mar. 2022 kl. 22.02 skrev Sukhito Teh <sucitto...@gmail.com>: > Thank you Nick, I benefited a lot for going through the tutorials that you > provided. > Since the transmission varies greatly with eta, can I say that the > absolute value of the transmission function (and thus the current > calculated) is not really meaningful? > > Best regards, > Sukhito Teh > University of National Tsing Hua University > > On Sat, Feb 26, 2022 at 5:02 AM Nick Papior <nickpap...@gmail.com> wrote: > >> There isn't per see a problem with the calculations. When the >> transmission is low, increasing the ETA value will generally smear out the >> transmissions, lowering the overall T. Please do understand what the Eta >> value does and what it means in the physical picture. >> >> Instead of looking at the transmission, I would look at the DOS on >> certain sites and check how they evolve with eta values, also take into >> account the energy spacing in your integration window. For example please >> carefully understand slide 6 in this presentation: >> https://github.com/zerothi/ts-tbt-sisl-tutorial/releases/download/v2021.05/Slide_Monday_0900.pdf >> The discussion about energies and eta values is very important in what >> you are experiencing. >> >> Den tor. 24. feb. 2022 kl. 22.03 skrev Sukhito Teh <sucitto...@gmail.com >> >: >> >>> Dear developers and users, >>> I am trying to calculate the spin polarized current flowing >>> through magnetic junction MoS2/graphene/MoS2 with Co as electrodes ( >>> https://journals.aps.org/prb/abstract/10.1103/PhysRevB.103.165407). For >>> the spin up current (parallel to both Co electrode's spins), the >>> transmission function seems to retain its feature with increasing value of >>> TBT.Contours.Eta, but the transmission function for spin down current >>> varies greatly with it. >>> Does this imply my calculation with transiesta is actually problematic? >>> Or is it normal to use an Eta as large as 100 meV in order to get converged >>> results for tbtrans calculation? >>> I had attached the figures for transmission functions, and also input >>> files for the calculation. >>> Thank you for your attention. >>> >>> Link to Figures of Transmission Spectrum >>> https://ibb.co/kQ4kL70 >>> https://ibb.co/8P7JtbD >>> https://ibb.co/VVVkf8z >>> >>> Best regards, >>> Sukhito Teh >>> University of National Tsing Hua University >>> >>> -- >>> SIESTA is supported by the Spanish Research Agency (AEI) and by the >>> European H2020 MaX Centre of Excellence (http://www.max-centre.eu/) >>> >> >> >> -- >> Kind regards Nick >> >> -- >> SIESTA is supported by the Spanish Research Agency (AEI) and by the >> European H2020 MaX Centre of Excellence (http://www.max-centre.eu/) >> > > -- > SIESTA is supported by the Spanish Research Agency (AEI) and by the > European H2020 MaX Centre of Excellence (http://www.max-centre.eu/) > -- Kind regards Nick
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
