: Wednesday, 3 July 2019 6:05 AM
To: siesta-l
Subject: Re: [SIESTA-L] Thoughts on PDOS siesta vs PDOS tbtrans
Den tir. 2. jul. 2019 kl. 22.01 skrev El-abed Haidar
mailto:ehai2...@uni.sydney.edu.au>>:
THank you again for the reply Nick
I wanted to ask you then if PDOS siesta vs PDOS Tbtra
>
> --
> *From:* siesta-l-requ...@uam.es on behalf of
> Nick Papior
> *Sent:* Monday, 24 June 2019 8:23 PM
> *To:* siesta-l
> *Subject:* Re: [SIESTA-L] Thoughts on PDOS siesta vs PDOS tbtrans
>
> In general,
>
> A 0 bias calculati
| 2006
From: siesta-l-requ...@uam.es on behalf of Nick
Papior
Sent: Monday, 24 June 2019 8:23 PM
To: siesta-l
Subject: Re: [SIESTA-L] Thoughts on PDOS siesta vs PDOS tbtrans
In general,
A 0 bias calculation should yield a somewhat equivalent PDOS in siesta vs
; --
> *From:* siesta-l-requ...@uam.es on behalf of
> Nick Papior
> *Sent:* Monday, 24 June 2019 8:23 PM
> *To:* siesta-l
> *Subject:* Re: [SIESTA-L] Thoughts on PDOS siesta vs PDOS tbtrans
>
> In general,
>
> A 0 bias calculation should
)
Condensed Matter Theory (CMT) Group
| School of Physics
THE UNIVERSITY OF SYDNEY | NSW | 2006
From: siesta-l-requ...@uam.es on behalf of Nick
Papior
Sent: Monday, 24 June 2019 8:23 PM
To: siesta-l
Subject: Re: [SIESTA-L] Thoughts on PDOS siesta vs PDOS tbtrans
In general,
A 0 bias calculation should yield a somewhat equivalent PDOS in siesta vs.
tbtrans. If this is the case it means that you have set up your system in a
sufficient manner. This is to say that the electrodes already screen off
the junction sufficiently (please spend some time on why this
Good evening all,
I was wondering if anyone could give some insight on the difference between
PDOS calculated in siesta as a DFT run vs PDOS calculated in tbtrans as a
DFT+NEGF run.
Should i expect for example PDOS to be different? Any computational or physical
insight would be highly
