[Pw_forum] GW for large systems

[marsamos at democritos.it]

Dear Gianluca, yes the Umari's et al GW is available in espresso-4.2 
just make gww to compile the module (GWW). 120 ions if bulk are 
accessible by traditional GWs schemes so for sure you can afford 
comfortably the calculation with GWW.

bests

Layla

Quoting Gianluca Giovannetti <gianluca.giovannetti at gmail.com>:

> Dear All,
>
> i want to do GW calculations on a large system containing 120 ions.
>
> i would say i can try to run it with the scheme proposed by P. Umari, G.
> Stenuit and S. Baroni, *Optimal representation of the polarization
> propagator for large-scale GW calculations*, Phys. Rev. B *79* (2009)
> 201104(R).
>
> do you have some experience about it?
>
> i hope a such calculation can be dealt with this scheme.
>
> is it available the GW scheme mentioned above in some version of Quantum
> Espresso?
>
> i have found at the website:
>
> http://gww.qe-forge.org/index.php?page=intro
>
> a good description about how to use it.
>
> is it available with 4.2.1 version?
>
> i thank you in advance.
>
> cheers,
>
> Gianluca Giovannetti
>



-- 
Dr. L. Martin-Samos
tel. +39 040 3787 429
CNR-DEMOCRITOS and
International School for Advanced Studies (ISAS-SISSA)
via Beirut 2-4
34151 Trieste Italy

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