Reducing Transmission Broadening

Asked by Luca Sementa on 2020-09-07

Dear Developers

Could you please indicate me which are the Siesta/Transiesta variables that play a
role in reducing the broadening of the average transmission in order to
resolve as much as possible the peaks?

Best Regards
Luca Sementa

Question information

Language:
English Edit question
Status:
Answered
For:
Siesta Edit question
Assignee:
No assignee Edit question
Last query:
2020-09-20
Last reply:
2020-09-20
Nick Papior (nickpapior) said : #1

The eta value determines the "smearing" of the DOS, and thus also the transmission.

Luca Sementa (lucadaumann) said : #2

Dear Nick

Thank you for your answer.
I did as you suggested but what I get is not too much different from my previous results. I added the following lines to my input:

TS.Elecs.Eta 1.0E-6 eV
TBT.Contours.Eta 1.0E-6 eV
TBT.Elecs.Eta 1.0E-6 eV

Did I do it right?
Best Regards.
Luca

Nick Papior (nickpapior) said : #3

If you used that small values, then probably you won't be able to smooth them more. So, yes that was the correct way. :)

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