[gpaw-users] GW

[thygesen at fysik.dtu.dk]

Dear Michael

It is not possible to pèerform GW calculations with GPAW at the moment -
this is, however, something we are considering to implement.

Best regards
Kristian

> Dear all,
>
> can anyone please tell me how to set up a GW calculation for a molecule?
>
> I would like to calculate the energy difference for singlet and triplet
> state for a organic molecule.
>
> Best regards
>
>
> Michael
>
> --
> Dipl. Chem. Michael F. Peintinger
>
> Institute of Physical and
> Theoretical Chemistry
>
> Wegelerstr.12
> D-53115 Bonn
>
> Telefon: 0228/73-2998
> E-Mail: mpei at thch.uni-bonn.de
>
>
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