[Pw_forum] TDDFT and GW

[Geoffrey Stenuit]

Dear Jiayu and Pwscf Users,

It is our pleasure to inform you that a GW code is now implemented in 
the CVS version of Q.E. .
This code (GWW) is based on the used of Wannier-like orbitals [see PRB 
79, 201104(R) (2009) ] for evaluating the polarization propagator. It 
allows to address large systems (a few hundreds of atoms). 

Examples for using the code can be found either in the 
examples/GWW_examples directory from the main QE directory, or on our 
webpage (still under construction...):

http://gww.qe-forge.org/

For its installation: "./configure" and "make gww" will generate the GWW 
binaries.

Regards,

Joe and Paolo


Jiayu Dai wrote:
> Dear all,
>
> It's so exciting to see the new release of espresso-4.1, and a lot of new parts in
> the code. But i would like to know if it includes the parts of TDDFT and GW? They
> have been discussed a lot before, and expected to be done soon?
>
> By the way, if we want change something about the exchange-correction functions in
> the code, what's the step to do it? It should be a big job?
>
> Best wishes.
>
> Jiayu
>
>
>
>
> ------------------------------
> -------------------------------------------
> Jiayu Dai
> Department of Physics
> National University of Defense Technology, 
> Changsha, 410073, P R China
> -----------------------------------------
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> Pw_forum at pwscf.org
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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