Hi Nick, Noted, and thank you for your reply! best regards Sukhito Teh National Tsing Hua University
On Sat, Mar 5, 2022 at 5:01 AM Nick Papior <nickpap...@gmail.com> wrote: > 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/) >
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)