Siesta

Self energy correction in TranSIESTA

Asked by Sandra Rodriguez

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

Question information

Language:
English Edit question
Status:
Answered
For:
Siesta Edit question
Assignee:
No assignee Edit question
Last query:
Last reply:

This question was reopened

Revision history for this message
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.

Revision history for this message
Sandra Rodriguez (sandrarg) said : 		#3

Dear Nick,

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

Revision history for this message
Nick Papior (nickpapior) said : 		#4

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

Can you help with this problem?

Provide an answer of your own, or ask Sandra Rodriguez for more information if necessary.

To post a message you must log in.