The ABINIT Users Mailing List ( CLOSED )

[Fabien Bruneval <fabien.bruneval@cea.fr>]

Hi Rolf,

The options prtpol and prtvxc are meaningless in the context of GW 
calculations.
The GW self-energy is non-local and dynamic, so it is not a simple 
function of the position, like v_xc or v_KS.

The code outputs GW-corrected band structure. Does it fit your needs?


Fabien




On 09/22/2009 01:09 PM, Rolf Oettking wrote:
> Hello
>
> I have a problem in deriving the total or any other potential in GW
> approximation.
> Going along the lines of the tutorial in tgw1_9.in and adding
> prtpot 1 and
> prtvxc 1,
> the potentials are printed out correctly in the first and second calculation
> steps but not in the fourth (or third).
>
> So, the question is: how would one get the "GW-corrected" potentials
>
> With best regards
>
> Rolf Oettking
>