The ABINIT Users Mailing List ( CLOSED )

["Matteo Giantomassi" <Matteo.Giantomassi@uclouvain.be>]

 Dear Andrey,

 As Fabien has already pointed out it would be extremely
 useful to introduce a cutoff in the coulombian interaction
 in order to speed up the convergence of the GW results with
 respect to the size of the unit cell.

 Presently I'm working on the implementation of this method.
 Hopefully this new feature will be released in the next stable
 version of Abinit. There are indeed some issues that have to be
 solved before the implementation can be considered stable.

 Best Regards,
 Matteo Giantomassi

> 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
>>
>
>