[Pw_forum] GW

[Geoffrey Stenuit]

Dear Ali,

Actually, it depends on what you would like to study within the GW 
approximation (GWA) framework.

Roughly speaking, if you have to deal with calculations in big 
supercells (+/- 100 atoms), or you would like to study the QPE in 
molecules, then... please wait !
The GW method based on the used of Wannier-like orbitals [ GWW, see PRB 
79, 201104(R) (2009) ] for evaluating the polarization propagator should 
be released soon (this summer anyway).

Otherwise, the Sax code ( https://qe-forge.org/projects/sax-project/ ) 
should help you...
This package allows you to compute the GWA electronic AND optical 
properties.

Hope it helps,

Joe


ali kazempour wrote:
> Dear all
>  I want to use GW approximation . Which code is compatible with espresso?
> thanks
>
> Ali Kazempour
> Physics department, Isfahan University of Technology
> 84156 Isfahan, Iran. Tel-1: +98 311 391 3733
> Fax: +98 311 391 2376 Tel-2: +98 311 391 2375
>
>
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-- 
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Geoffrey Stenuit
Theory at Elettra Group
CNR-INFM DEMOCRITOS National Simulation Center
c/o Sincrotrone Trieste - SS14, Km 163,5 Basovizza, I-34012 TRIESTE
email: stenuit at sissa.it    tel: +39 040 375-8713    fax: -8776