[gpaw-users] Information regarding NEGF+DFT module in GPAW

[Jens Jørgen Mortensen]

On 12/15/18 7:16 AM, Bramha Pandey via gpaw-users wrote:
> Dear all GPAW users,
> I would like to know whether I can compute I-V characteristics of 
> nanodevices using GPAW in NEGF+DFT framework. I have seen some papers 
> were cited as GPAW was the facility to compute NEGF+DFT. But now, I am 
> not able to find such module.


GPAW no longer supports NEGF calculations.


Jens Jørgen


> Also which module should I preferred to compute thermoelectric 
> properties of the 2D materials?
> Kindly advise me.
> ------------------
> With Regards
> Dr. Bramha P Pandey
> Asstt. Prof. ECED Deptt.,
> MMMUT, Gorakhpur (U.P)
> India-273010.
> Email Id: bppece at mmmut.ac.in <mailto:bppece at mmmut.ac.in>
> pandey.bramha at gmail.com <mailto:pandey.bramha at gmail.com>
>
>
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