The ABINIT Users Mailing List ( CLOSED )

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

Dear Andrey,

Within GW approximation for clusters, it is highly recommended to use a 
cut-off technique for the Coulomb interaction in order to accelerate the 
convergence with respect to the supercell size.
Matteo Giantomassi is currently implementing this feature, that will be 
available in version 5.6 of Abinit.

Fabien


Andrey Titov wrote:
> Hello,
> I would like to calculate electronic structure of Si clusters using GW 
> approximation, but it is mentioned in "features" that Abinit should be 
> improved to treat clusters. Is it impossible to treat clusters in GW 
> approximation using Abinit? Which kind of improvement should be made?
> Thank you,
> Andrey TITOV.
>  
> Institut Matériaux Microélectronique Nanosciences de Provence
> http://www.im2np.fr/admin/annuaire.html