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/)

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