Self energy correction in TranSIESTA

Asked by Sandra Rodriguez on 2018-12-05

I am wondering if there is any way to include the self energy correction in a Transiesta calculation.
Thanks in advance,

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Nick Papior (nickpapior) said : #1

Currently one cannot alter a self-energy term in the device region for transiesta calculations.

However, for tbtrans calculations this can easily be done. See option TBT.dSE in the tbtrans manual.

Sandra Rodriguez (sandrarg) said : #3

Dear Nick,

I have been checking the tbtrans 4.1-b3 manual, and I did not find that option...

Nick Papior (nickpapior) said : #4

You should check (and use Siesta-4.1-b4). :)

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